data_6tvm_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6tvm _Structure_validation_residue.Date_analyzed 2020-09-04 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.816 0.341 . . . . 71.1 110.871 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.57 -37.69 63.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 71.15 110.884 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.73 -36.3 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.845 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.8 t -68.96 -38.91 79.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 64.41 110.839 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -74.83 -34.25 62.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 74.54 110.893 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.62 -47.57 62.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 73.52 110.885 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.29 -27.44 62.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 72.33 110.904 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -76.87 -39.56 50.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 75.43 110.885 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 30.2 mt -59.63 -38.7 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 73.14 111.142 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -72.1 -48.15 46.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.853 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.42 98.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 73.4 111.08 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -55.09 -46.52 75.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 64.34 110.91 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 43.7 mt -64.75 -33.4 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 73.32 111.107 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -63.01 -52.06 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.888 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -69.88 -30.22 67.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 73.11 110.942 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 13.6 p -75.67 -27.94 58.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 73.51 110.818 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 36.4 mt -94.38 26.84 3.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 72.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.47 170.4 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.876 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.29 -38.93 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 75.13 111.154 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -91.71 -32.67 15.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 72.25 110.869 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -106.57 36.4 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.881 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.65 107.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 73.5 110.903 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -134.13 76.64 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.882 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 11.6 m -51.34 -29.21 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.13 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -51.71 -37.93 52.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.875 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -35.89 59.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 74.44 110.837 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 7.9 t -54.76 -58.87 5.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.894 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.29 -40.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 72.41 111.148 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.61 -36.25 73.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.906 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.14 -53.88 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 74.24 111.099 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 17.4 mt -52.17 -35.45 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -63.22 -39.69 95.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.886 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -67.5 -50.0 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 72.41 110.903 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.93 -36.08 59.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 75.32 110.947 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -72.01 -40.27 68.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.42 111.13 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -35.76 74.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.831 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.0 135.76 57.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 72.4 110.93 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -92.64 56.24 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.957 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.89 136.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 54.23 111.109 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -100.45 172.84 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 73.21 111.12 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.2 tpt -55.23 -39.01 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.41 110.894 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -54.27 -52.66 60.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 70.25 110.948 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -72.99 -37.22 67.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.947 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.28 70.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 74.33 111.1 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -51.8 -36.03 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.95 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -75.85 -35.8 59.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 75.54 110.881 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -97.96 35.55 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 74.23 110.832 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.5 p -63.81 -34.53 78.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 63.35 111.159 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.24 -50.12 70.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 65.31 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 55.1 ttp -55.34 -35.19 64.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.91 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 49.9 mt -66.81 -35.38 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 72.42 111.126 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 2.7 m -59.88 -41.37 91.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.109 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.7 m -63.0 -40.09 96.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 72.14 111.162 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 15.6 mt -52.96 -35.02 58.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.898 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -76.4 -28.47 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 75.05 110.884 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -75.79 -35.47 60.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.916 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.477 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 35.7 pt -73.13 -1.65 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.44 111.147 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -34.54 43.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.848 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -18.26 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.863 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.477 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -41.12 119.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 75.04 110.867 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.17 135.75 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.863 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.2 134.4 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 53.33 111.17 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 31.1 t -70.65 173.48 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.872 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.76 -34.16 64.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.966 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.4 p -53.17 -41.1 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.33 111.149 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 93.8 mt -73.84 -48.3 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.31 111.133 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 19.5 mtm -56.7 -33.48 66.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.03 110.846 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -72.89 -52.97 12.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.899 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -58.64 -40.0 82.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.923 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 78.6 p -55.07 -49.9 70.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.829 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 85.8 m -55.09 -40.66 70.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 73.02 111.187 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 11.5 ttp -56.34 -49.35 74.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.45 110.896 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 53.6 mt -71.98 -37.39 69.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 74.02 110.943 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -62.74 -41.73 99.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.933 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.14 -45.27 57.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.14 110.844 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -53.66 -50.15 66.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.92 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -60.5 -40.43 91.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -58.13 -51.56 69.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.85 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.07 -35.38 47.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 70.12 110.916 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 34.9 mtm -73.76 -34.68 64.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.905 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 65.35 110.906 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.872 0.368 . . . . 65.44 110.841 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.25 -37.42 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.851 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.86 -35.03 64.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 75.42 110.848 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.8 t -69.68 -37.71 76.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 73.54 110.874 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -74.64 -34.48 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.917 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.85 -48.15 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.05 110.867 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -56.75 -29.47 62.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.44 110.913 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -75.65 -39.79 57.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.866 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 18.1 mt -59.98 -38.28 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.148 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -71.68 -45.15 62.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.891 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.07 95.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 75.12 111.065 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -55.28 -46.4 76.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.88 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.4 mt -64.21 -33.98 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 73.45 111.151 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -62.93 -52.13 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.92 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -69.67 -30.09 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.88 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 15.3 p -75.72 -28.41 58.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.846 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 38.1 mt -94.01 26.8 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 70.21 110.911 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.37 170.48 8.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 75.01 110.89 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.26 -38.77 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.33 111.147 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -91.91 -32.51 15.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.868 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -106.67 36.49 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.878 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 16.6 tp -56.55 107.78 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.897 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -134.88 76.25 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.871 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 12.2 m -51.36 -28.79 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 64.02 111.133 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -51.8 -37.9 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.41 110.914 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -35.62 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.856 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 8.2 t -54.65 -58.84 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.04 110.916 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.26 -39.53 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 73.42 111.116 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.4 -36.86 74.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.02 -53.79 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 73.15 111.104 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 17.2 mt -52.21 -35.78 50.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 73.21 110.93 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -64.93 -37.1 86.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.853 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.1 -50.14 56.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.883 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -55.68 -36.77 67.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.925 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.74 -35.82 77.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.079 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -35.17 59.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 63.33 110.835 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.6 136.93 58.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 75.1 110.969 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -93.93 56.48 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 73.33 110.905 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.95 137.54 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 70.22 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -100.44 172.93 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 75.32 111.147 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.12 -38.86 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 75.31 110.852 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -54.63 -51.63 64.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 74.44 110.915 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -73.84 -36.7 64.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.65 73.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 64.44 111.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -52.18 -36.13 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 71.43 110.942 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -75.21 -35.91 61.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.885 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -98.18 35.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 74.34 110.842 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 7.5 p -63.17 -34.85 78.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 64.12 111.159 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.38 -49.45 72.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.885 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 55.3 ttp -55.43 -35.84 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.43 110.885 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 52.8 mt -65.77 -35.38 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 73.32 111.146 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 2.8 m -59.79 -42.37 93.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 75.14 111.181 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 96.6 m -61.59 -40.63 95.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 73.13 111.129 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 15.7 mt -53.03 -35.15 59.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.93 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -76.32 -28.49 56.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 72.41 110.91 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -75.55 -35.76 60.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.924 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.488 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 35.6 pt -72.97 -1.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 55.54 111.154 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -34.82 45.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.892 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.13 -18.26 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.869 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.488 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -41.13 119.87 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 74.51 110.922 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.7 134.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.875 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 8.6 p -61.27 135.74 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 73.41 111.146 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 29.9 t -72.19 174.02 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 72.24 110.852 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.94 -34.27 64.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 73.54 110.91 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.31 -41.0 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 75.33 111.14 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 93.4 mt -73.75 -48.32 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 74.43 111.139 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 20.1 mtm -56.77 -33.25 66.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.902 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -72.75 -53.45 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -58.48 -40.04 81.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 74.54 110.854 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.2 p -54.98 -49.63 70.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 75.0 110.832 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 86.3 m -55.61 -40.39 72.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 71.42 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 11.6 ttp -56.7 -48.73 77.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 75.51 110.834 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 57.8 mt -72.57 -37.12 68.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 73.32 110.924 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -63.03 -41.82 99.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.05 110.898 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -45.34 58.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.53 110.887 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -53.4 -49.82 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.894 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -60.22 -42.2 94.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.932 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -56.49 -51.36 68.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 74.04 110.863 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -52.12 -35.76 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 62.42 110.872 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 34.5 mtm -73.79 -34.76 64.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.903 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 75.14 110.915 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.863 0.363 . . . . 71.1 110.872 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -39.78 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 71.15 110.925 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.85 -35.72 64.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.807 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -37.74 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.825 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -74.72 -33.93 62.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 74.54 110.929 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.7 -47.8 57.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.52 110.884 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -56.76 -29.36 62.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.908 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -77.23 -39.65 47.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.874 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 18.2 mt -62.22 -39.22 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.14 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -72.06 -41.56 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.44 110.856 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.02 79.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 73.4 111.085 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.13 -43.81 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 64.34 110.87 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 44.4 mt -64.62 -34.89 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 73.32 111.163 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -58.45 -47.28 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.875 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.75 -30.78 59.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 7.0 p -77.98 -3.08 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.51 110.857 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 50.4 mt -121.27 26.06 9.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 72.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 170.88 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.902 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.81 -41.11 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.13 111.125 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -91.97 -32.46 15.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.891 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.78 36.26 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.871 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.9 tp -53.52 107.79 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 73.5 110.895 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.99 68.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.846 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 9.8 m -52.15 -30.91 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.112 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -52.38 -41.44 63.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 71.21 110.822 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.6 -33.42 60.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.897 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 31.0 t -53.11 -47.24 68.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.13 110.952 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.45 -47.14 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 72.41 111.116 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.88 -35.08 43.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.855 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.37 -53.96 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 74.24 111.08 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.09 -39.28 63.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.53 110.916 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.22 -36.07 82.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.872 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.52 -45.68 68.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.892 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.32 -35.42 69.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.497 . . . . 75.32 110.893 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.91 74.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 74.42 111.08 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -36.55 73.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.827 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 64.9 mt -59.31 136.88 58.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 72.4 110.907 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -89.11 66.49 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.874 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.34 142.89 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 54.23 111.092 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.2 t -112.59 171.49 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 73.21 111.161 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 2.8 ttt -55.97 -36.62 68.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 74.41 110.865 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -55.06 -59.3 4.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 70.25 110.898 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -67.44 -37.86 83.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.942 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.38 -45.21 88.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.089 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.65 -36.09 44.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.93 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.1 -35.18 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 75.54 110.917 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -95.27 35.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.847 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 8.5 p -59.03 -34.62 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 63.35 111.148 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -55.37 -48.77 73.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 65.31 110.87 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 58.4 ttp -55.41 -38.01 68.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.884 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 41.9 mt -68.15 -35.68 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 72.42 111.148 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 6.9 m -60.51 -43.6 96.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 73.22 111.119 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 63.1 m -62.4 -39.4 93.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 72.14 111.136 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 55.6 mt -51.91 -37.94 54.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.926 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.3 -28.96 57.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 75.05 110.886 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -75.0 -35.52 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.14 110.9 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.454 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 36.8 pt -73.57 -1.73 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.145 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -33.58 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 64.01 110.842 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.28 -20.27 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.885 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.454 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.8 OUTLIER -42.9 113.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.877 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -175.4 134.0 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 74.21 110.905 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.66 145.43 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 53.33 111.144 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 35.5 t -86.59 156.61 19.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.856 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -52.09 -36.07 49.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.892 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -58.48 -40.0 77.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 73.33 111.112 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 81.9 mt -72.48 -49.87 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.141 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 8.5 mtt -60.77 -31.93 71.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 74.03 110.867 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -73.23 -52.92 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 73.25 110.932 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -58.89 -39.47 81.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.21 110.924 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 80.3 p -55.1 -50.95 67.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 72.43 110.806 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 40.3 m -52.72 -46.12 67.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 73.02 111.142 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 42.1 ttp -51.89 -52.19 51.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.45 110.867 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 40.1 mt -66.93 -43.38 83.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 74.02 110.92 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -53.19 -56.11 18.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.919 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -63.0 -35.66 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.897 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -53.29 -53.64 47.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 74.31 110.912 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -75.47 -36.89 60.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.89 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -55.56 -41.82 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 75.43 110.9 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -34.82 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 70.12 110.881 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 28.8 mtm -76.31 -34.43 59.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.854 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 65.35 110.886 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.866 0.365 . . . . 65.44 110.812 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -38.07 61.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 74.41 110.875 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.49 -35.94 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.42 110.829 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -38.17 79.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 73.54 110.829 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.62 -35.78 62.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.831 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.52 -47.89 58.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 64.05 110.939 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -56.99 -29.36 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.894 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -76.3 -39.36 54.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.877 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 13.8 mt -62.54 -40.09 86.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.43 111.131 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -69.27 -39.71 78.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.88 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.6 -42.24 71.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 75.12 111.094 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.72 -43.14 76.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 74.45 110.849 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 44.3 mt -64.71 -35.19 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 73.45 111.086 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -58.34 -46.97 85.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.859 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.65 -30.98 59.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 75.2 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.0 p -78.07 -3.04 40.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.836 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 50.6 mt -121.39 26.05 9.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 70.21 110.937 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 171.23 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 75.01 110.881 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.9 tp -84.94 -40.74 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 74.33 111.134 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -92.57 -32.28 14.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.871 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.8 36.36 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.87 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 18.0 tp -53.68 107.71 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.919 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.43 68.94 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.844 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 10.2 m -51.91 -30.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 64.02 111.127 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -52.23 -41.19 62.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -75.8 -33.2 60.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.838 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 31.3 t -53.25 -47.94 68.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 73.04 110.889 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -64.54 -46.35 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 73.42 111.13 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.94 -35.83 47.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 75.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.01 -53.87 7.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.15 111.096 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 13.1 mt -52.37 -36.6 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.871 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.44 -36.12 82.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.86 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -49.89 57.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.92 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.26 -35.96 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 72.31 110.959 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.93 -42.8 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.22 111.081 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -36.26 77.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 63.33 110.826 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 65.2 mt -59.84 136.91 58.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 75.1 110.895 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -88.74 66.36 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.914 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.15 142.28 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 70.22 111.123 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -112.31 171.29 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 75.32 111.163 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 2.8 ttt -55.42 -37.12 67.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 75.31 110.839 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.72 -59.17 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 74.44 110.898 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -67.68 -37.59 82.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.94 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.04 88.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 64.44 111.086 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -52.19 -35.95 50.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.889 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -35.52 45.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 71.25 110.895 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -95.23 35.52 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.863 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 7.1 p -58.58 -34.89 71.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 64.12 111.12 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -55.35 -49.25 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.886 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.9 ttp -55.7 -35.79 66.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.903 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 22.9 mt -69.08 -36.45 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 73.32 111.123 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 7.3 m -61.51 -43.13 99.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.14 111.115 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 62.1 m -61.28 -41.13 96.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 73.13 111.146 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 25.8 mt -52.67 -36.14 56.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.891 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.68 -28.84 56.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.869 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -75.89 -35.29 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 72.14 110.928 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.458 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 40.3 pt -73.12 -1.76 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 55.54 111.152 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -33.82 44.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 71.35 110.884 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.69 -20.26 7.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.844 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.458 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.8 OUTLIER -42.65 113.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.885 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -175.67 134.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.922 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.63 144.74 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.101 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 35.9 t -85.81 156.66 20.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 72.24 110.802 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -51.98 -36.15 48.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 73.54 110.87 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.1 p -58.29 -40.18 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 75.33 111.144 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 81.9 mt -72.08 -50.09 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.43 111.144 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 8.6 mtt -60.47 -32.43 71.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.871 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -72.82 -52.76 13.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.902 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -58.73 -39.89 82.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.911 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.0 p -55.13 -50.47 69.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 75.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 36.2 m -52.87 -46.66 68.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 71.42 111.157 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 42.2 ttp -51.81 -52.18 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 75.51 110.891 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.65 -43.85 83.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.938 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -51.58 -57.84 7.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 75.05 110.958 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -60.53 -34.88 74.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 72.53 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -53.28 -53.71 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.925 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -74.02 -40.53 62.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 72.12 110.907 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -53.6 -44.02 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 74.04 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -35.93 79.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 62.42 110.868 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 29.0 mtm -76.56 -34.35 58.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.888 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.881 0.372 . . . . 71.1 110.822 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.5 tpt -61.4 -40.98 96.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 71.15 110.866 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -35.69 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 75.24 110.862 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -38.79 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.886 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -74.65 -34.17 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.863 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.51 -47.42 55.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 73.52 110.91 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.05 -28.3 62.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 72.33 110.933 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -74.66 -35.56 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 75.43 110.875 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 32.8 mt -63.26 -41.09 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.164 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -71.85 -40.91 68.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 71.44 110.889 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.93 -44.96 75.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 73.4 111.099 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -55.12 -48.19 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 64.34 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 43.3 mt -61.68 -35.19 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.11 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -59.35 -46.19 89.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.907 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -75.8 -30.4 59.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.922 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -80.15 -1.16 39.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 73.51 110.867 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 38.4 mt -121.84 26.16 8.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 72.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.54 170.09 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.89 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.0 tp -84.71 -39.74 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 75.13 111.141 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -91.75 -32.28 15.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 72.25 110.876 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -111.84 36.64 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.872 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 17.2 tp -53.24 107.92 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 73.5 110.892 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -123.98 69.29 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.15 110.897 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 7.5 m -52.28 -29.1 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 73.32 111.105 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -52.03 -43.12 63.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.89 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -75.02 -33.69 61.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.838 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 37.4 t -53.33 -42.04 66.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.888 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -70.3 -47.61 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.41 111.133 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -51.63 -35.36 41.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.866 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -74.83 -52.39 11.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.098 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 10.5 mt -52.08 -36.07 49.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.53 110.969 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.6 -42.32 91.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.837 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -45.94 90.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 72.41 110.906 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -52.48 53.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 75.32 110.922 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.49 -30.67 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.103 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.53 -35.22 60.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.862 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.21 108.64 4.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 72.4 110.925 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.54 59.93 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.876 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 5.8 p -67.2 137.57 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 54.23 111.166 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -92.19 171.64 8.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.21 111.115 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -38.35 63.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 74.41 110.83 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -52.09 -58.3 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 70.25 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.29 -35.76 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.912 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.39 -51.25 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.121 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -51.92 -38.49 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -71.72 -34.77 69.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.54 110.893 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -95.2 35.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.803 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -38.11 85.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 63.35 111.116 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.48 -43.68 75.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 65.31 110.862 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 29.8 ttp -57.35 -48.61 78.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.864 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 5.2 mt -57.43 -38.08 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 72.42 111.15 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -41.63 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 73.22 111.18 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.8 m -63.94 -37.47 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 72.14 111.116 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 27.0 mt -57.18 -35.58 69.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 75.13 110.922 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -77.17 -28.97 54.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 75.05 110.912 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -75.94 -34.22 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.882 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.468 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 41.1 pt -74.19 -1.7 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 75.44 111.141 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -34.02 37.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.875 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.19 -20.22 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.874 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.468 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -42.04 114.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.906 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.68 130.01 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.952 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 2.9 m -54.49 141.84 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 53.33 111.079 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 41.2 t -80.57 159.35 25.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.89 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.15 -35.62 67.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.5 p -56.24 -40.07 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 73.33 111.141 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 83.5 mt -72.54 -50.5 34.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.31 111.107 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.6 mtm -59.34 -32.69 70.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.03 110.857 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.04 -52.94 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 73.25 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -58.78 -39.81 82.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 75.21 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 80.9 p -55.07 -50.96 67.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.839 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 51.7 m -53.7 -43.81 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 73.02 111.12 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.6 ttp -53.61 -50.51 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 75.45 110.883 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.93 -40.17 75.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 74.02 110.891 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -53.12 -51.24 62.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.941 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -70.06 -35.85 74.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 73.14 110.941 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -53.95 -53.36 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.924 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -67.71 -37.07 81.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -45.63 80.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.894 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -51.86 -36.91 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 70.12 110.889 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 33.4 mtm -79.11 -35.22 42.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.923 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 65.35 110.888 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.87 0.367 . . . . 65.44 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.5 tpt -59.97 -40.64 89.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 74.41 110.863 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.21 -36.18 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.867 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -39.55 74.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 73.54 110.886 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -74.58 -34.43 62.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 71.24 110.829 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 12.3 mt -71.47 -47.79 53.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 64.05 110.919 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -57.96 -29.94 65.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 71.44 110.899 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -72.18 -35.91 69.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 73.31 110.869 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 21.3 mt -63.54 -41.37 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.43 111.121 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -70.45 -40.67 73.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 74.23 110.878 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.37 73.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 75.12 111.113 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -55.24 -47.25 75.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 41.7 mt -61.97 -35.53 68.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 73.45 111.118 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -58.52 -46.42 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.913 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.62 -30.77 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.2 110.875 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -78.92 -2.75 41.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.867 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 47.8 mt -121.52 26.21 8.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 70.21 110.88 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -70.98 170.97 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 75.01 110.894 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.4 tp -84.4 -41.53 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.33 111.115 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -91.56 -31.54 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 71.24 110.884 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.61 36.14 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.872 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 18.9 tp -53.6 107.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.24 110.928 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -125.51 69.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 74.12 110.819 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 7.8 m -52.64 -28.59 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 64.02 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -51.91 -43.01 63.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -75.16 -33.31 61.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.892 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 37.2 t -53.18 -43.48 67.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 73.04 110.87 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -68.81 -46.68 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 73.42 111.096 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -51.81 -35.78 45.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -74.65 -51.84 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.15 111.123 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 10.4 mt -52.13 -36.12 50.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.892 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.97 -41.27 91.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.872 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -46.79 86.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 71.12 110.88 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.47 -52.76 52.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.35 -30.71 60.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 71.22 111.114 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -35.1 60.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 63.33 110.829 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.98 109.07 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 75.1 110.915 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.61 60.07 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.915 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 5.9 p -67.13 137.48 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 70.22 111.134 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -91.99 171.84 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 75.32 111.115 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -38.36 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.31 110.877 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -51.96 -58.12 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 74.44 110.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.41 -36.07 71.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.877 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.08 -51.28 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 64.44 111.079 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -52.28 -36.66 53.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 71.43 110.908 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -72.67 -35.28 67.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 71.25 110.9 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -95.34 35.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -38.49 85.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 64.12 111.149 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.38 -42.28 73.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 28.3 ttp -58.31 -49.66 76.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.43 110.834 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 5.2 mt -56.7 -38.05 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 73.32 111.122 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -40.32 85.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.14 111.143 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -65.6 -35.86 82.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 73.13 111.162 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.42 -36.13 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.892 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -28.86 56.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.879 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -74.91 -35.25 62.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.869 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.494 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 34.7 pt -73.77 -1.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 55.54 111.143 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -34.76 50.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 71.35 110.876 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.96 -19.03 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.894 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 1.7 t80 -42.71 114.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.86 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.28 134.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.881 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.1 m -51.21 155.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 73.41 111.162 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.3 t -96.65 156.14 16.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.892 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -51.6 -35.41 41.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.54 110.934 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -59.58 -39.81 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 75.33 111.128 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 82.6 mt -72.38 -52.17 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 74.43 111.125 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.5 mtm -58.8 -31.16 68.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.837 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.17 -53.36 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.913 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -58.57 -39.11 79.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.856 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.4 p -55.09 -51.99 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 75.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 44.9 m -52.6 -44.63 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 71.42 111.114 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.6 ttp -53.23 -50.33 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 75.51 110.852 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.05 -42.47 76.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 73.32 110.924 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -51.81 -52.0 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.947 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -68.63 -36.01 78.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.913 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -54.38 -53.49 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 72.32 110.86 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -67.56 -36.24 80.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 72.12 110.847 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -45.52 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 74.04 110.89 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -51.85 -36.71 49.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 62.42 110.837 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 33.6 mtm -79.45 -35.2 40.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.889 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 75.14 110.841 -179.891 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.846 0.355 . . . . 71.1 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -38.62 62.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 71.15 110.842 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.74 -36.09 65.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.41 . . . . 75.24 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 31.4 t -69.21 -38.68 78.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.85 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -74.69 -34.13 62.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 74.54 110.848 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.1 -47.24 59.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.936 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.19 -28.49 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.935 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -76.9 -36.81 56.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.847 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 21.7 mt -65.29 -40.3 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 73.14 111.119 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -71.78 -38.33 70.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.44 110.87 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.39 64.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 73.4 111.081 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -54.62 -38.28 66.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 64.34 110.905 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 33.5 mt -75.14 -31.13 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.14 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -61.09 -52.84 63.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 71.35 110.896 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -72.93 -34.19 66.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 73.11 110.869 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.9 m -71.49 -10.66 60.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.827 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 31.5 mt -110.83 26.18 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 72.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.33 171.63 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.886 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.4 tp -84.51 -38.54 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 75.13 111.116 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -92.72 -32.62 14.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 72.25 110.853 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -106.24 36.05 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.894 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 18.3 tp -53.96 107.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 73.5 110.887 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.98 79.59 1.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.832 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 9.1 m -60.8 -27.49 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.32 111.149 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -51.87 -40.17 60.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.21 110.846 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -75.91 -34.86 59.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.907 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 25.5 t -53.23 -56.11 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.879 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.6 -49.78 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 72.41 111.144 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.72 -34.91 41.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 74.11 110.869 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.43 -51.68 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.24 111.138 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.28 -41.36 62.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.873 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.89 -49.1 79.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.832 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -46.3 79.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 72.41 110.917 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.36 -54.26 34.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 75.32 110.912 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.17 -33.99 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.088 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.1 m -71.51 -36.87 71.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.863 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 60.9 mt -69.09 117.53 10.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 72.4 110.898 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.17 71.22 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.914 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -82.52 144.02 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 54.23 111.135 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -100.0 173.94 6.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 73.21 111.155 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 1.9 ttt -57.55 -39.39 76.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.41 110.915 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -52.0 -59.16 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 70.25 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -63.9 -35.68 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.29 92.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 74.33 111.065 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.67 -36.06 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.959 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -77.57 -34.35 53.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.91 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -95.12 35.66 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.866 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -35.32 73.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 63.35 111.176 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.99 -41.88 98.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.863 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 36.7 ttp -55.25 -37.32 67.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.856 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 4.4 mt -69.95 -44.1 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 72.42 111.149 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 95.6 m -54.09 -35.44 62.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.22 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.2 m -71.85 -38.56 70.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 72.14 111.118 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 31.8 mt -57.92 -36.18 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 75.13 110.936 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.49 -28.82 56.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 75.05 110.892 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -75.13 -35.15 61.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 73.14 110.897 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.476 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 35.6 pt -73.71 -2.03 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 75.44 111.142 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -33.85 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 64.01 110.912 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.11 -19.53 7.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.893 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.476 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -40.1 120.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 75.04 110.884 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.4 135.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.878 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.43 126.33 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 53.33 111.148 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 1.5 m -61.57 170.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.848 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -72.83 -33.88 66.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 74.23 110.906 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.2 p -53.02 -41.03 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 73.33 111.143 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 61.1 mt -73.82 -47.41 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.31 111.113 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 34.3 mtm -58.56 -34.66 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.03 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -42.5 58.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.903 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -68.35 -35.57 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.897 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 84.0 p -58.39 -49.66 76.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 72.43 110.923 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 95.0 m -53.67 -44.33 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 73.02 111.149 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.2 tpt -51.3 -49.31 61.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 75.45 110.893 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 56.1 mt -73.41 -38.48 65.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 74.02 110.951 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -53.76 -60.03 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.923 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -59.63 -34.73 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.838 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -53.22 -53.61 48.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.905 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -73.88 -37.16 64.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.87 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -57.73 -44.0 85.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.898 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.16 -37.02 76.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 70.12 110.923 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 16.4 mtm -78.59 -34.82 46.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.872 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.863 -179.904 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.828 0.347 . . . . 65.44 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -38.49 66.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.41 110.882 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.29 -38.27 65.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 75.42 110.848 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 32.3 t -66.82 -39.24 87.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 73.54 110.847 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -74.36 -34.49 63.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 71.24 110.841 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 20.4 mt -71.44 -47.79 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 64.05 110.897 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -57.98 -29.72 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 71.44 110.919 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -74.71 -37.54 62.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 73.31 110.833 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 14.2 mt -65.2 -39.15 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.43 111.111 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -70.82 -39.7 72.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.23 110.879 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.09 -41.48 67.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 75.12 111.056 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.25 -40.72 71.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.874 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 46.7 mt -73.54 -34.64 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 73.45 111.104 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -58.24 -52.16 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.886 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -74.04 -31.4 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 75.2 110.878 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 40.0 m -73.55 -13.64 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.847 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 40.0 mt -107.65 26.62 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 70.21 110.927 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 170.64 7.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.915 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.0 tp -84.5 -38.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.33 111.155 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -92.03 -33.65 14.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 71.24 110.893 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -106.11 36.47 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 75.13 110.898 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 18.2 tp -53.79 107.29 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.949 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.12 80.06 1.89 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.85 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 12.0 m -60.16 -27.17 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 64.02 111.175 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -51.64 -39.69 58.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.41 110.886 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -75.94 -35.2 59.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 72.11 110.823 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.47 -56.59 15.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 73.04 110.839 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.51 -49.13 56.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 73.42 111.124 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.65 -35.15 41.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 75.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.26 -50.98 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 73.15 111.106 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.1 -38.99 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.894 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.85 -47.53 84.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.84 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -47.38 78.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.884 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.45 -54.71 28.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 72.31 110.949 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.29 -34.62 66.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.153 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.1 m -72.47 -36.08 68.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 63.33 110.839 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.03 118.03 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 75.1 110.893 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.66 71.38 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.911 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -82.5 144.14 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 70.22 111.11 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -99.58 173.91 6.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 75.32 111.128 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 1.8 ttt -58.03 -39.71 79.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.915 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -51.97 -59.2 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.917 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -63.46 -35.7 81.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.895 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.36 -42.98 92.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 64.44 111.106 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -51.66 -35.66 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 71.43 110.91 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -77.62 -34.91 53.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 71.25 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -95.17 35.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 74.34 110.878 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -35.28 73.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 64.12 111.143 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.81 -41.37 97.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.43 110.916 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 34.7 ttp -55.37 -37.81 68.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 75.43 110.922 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 4.3 mt -69.97 -42.58 79.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 73.32 111.16 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 95.9 m -54.12 -35.76 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 75.14 111.144 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 90.5 m -72.37 -40.27 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 73.13 111.167 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 46.3 mt -54.62 -37.69 65.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.927 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.03 -28.92 57.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.909 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -74.63 -35.93 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 72.14 110.881 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.476 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 34.8 pt -73.42 -1.69 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 55.54 111.131 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -34.19 45.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 71.35 110.875 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.07 -20.15 6.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.836 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.476 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.08 120.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.857 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -176.61 134.09 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 74.41 110.895 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.27 126.85 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 73.41 111.103 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 1.9 m -62.49 171.15 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 72.24 110.883 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -73.14 -33.2 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.919 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.83 -42.18 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 75.33 111.108 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 40.9 mt -73.75 -45.63 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.092 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 34.0 mtm -59.11 -34.4 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.879 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -42.29 54.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.868 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -68.11 -35.21 77.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.54 110.918 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.9 p -58.59 -50.77 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 75.0 110.825 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 94.6 m -52.73 -44.36 66.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 71.42 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -51.49 -48.6 62.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.877 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 54.5 mt -74.29 -36.57 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 73.32 110.857 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -56.94 -58.0 10.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 75.05 110.913 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -62.32 -35.33 78.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.53 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -53.2 -53.31 52.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.912 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -75.38 -35.85 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 72.12 110.89 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -57.48 -43.85 84.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 74.04 110.856 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.39 -35.79 74.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 62.42 110.874 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 16.4 mtm -77.85 -35.2 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.904 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.916 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.903 0.382 . . . . 71.1 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.7 tpt -54.09 -41.22 68.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 71.15 110.87 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.04 -35.42 66.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.865 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 48.4 t -68.91 -39.21 79.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.854 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.77 -33.52 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.846 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.37 -47.33 56.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.52 110.914 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.82 -27.64 60.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.959 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -76.77 -37.87 55.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.818 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 30.9 mt -61.1 -42.98 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 73.14 111.128 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -72.11 -35.97 69.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.89 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.76 -48.31 64.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.4 111.109 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.06 -46.71 75.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 64.34 110.894 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 43.2 mt -62.02 -35.04 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.136 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -63.35 -46.1 88.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.889 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -75.7 -31.32 59.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.11 110.907 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 15.8 p -80.43 -1.11 40.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 73.51 110.883 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 31.0 mt -120.02 26.51 9.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 72.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -71.56 170.55 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.13 110.905 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.1 tp -83.65 -37.5 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 75.13 111.139 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -93.65 -29.87 15.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 72.25 110.858 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -110.9 36.7 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.922 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 20.5 tp -52.98 107.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 73.5 110.927 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.85 80.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.857 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 9.7 m -61.24 -27.1 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.121 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -51.82 -39.37 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.21 110.888 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -75.73 -35.27 60.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.925 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 12.2 t -53.89 -57.18 11.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 75.13 110.847 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.44 -50.44 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 72.41 111.142 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.63 -34.06 36.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.84 -51.26 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.24 111.109 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 11.4 mt -52.09 -40.19 60.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -49.06 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.884 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -46.02 85.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.901 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -52.32 -54.21 34.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.91 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -58.27 -34.49 70.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.42 111.11 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -36.44 70.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.853 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.06 117.15 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 72.4 110.909 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -79.03 64.32 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.929 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.89 141.24 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 54.23 111.135 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.0 t -100.96 171.32 7.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.153 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -38.14 64.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 74.41 110.879 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -52.21 -59.07 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 70.25 110.886 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -66.51 -35.87 81.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 71.44 110.918 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.22 82.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.144 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -51.85 -37.65 52.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 75.25 110.89 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 2.4 mmpp? -75.22 -35.2 61.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -95.33 35.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.83 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.4 p -59.03 -36.11 74.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 63.35 111.159 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.08 -45.39 93.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 65.31 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -55.38 -37.21 67.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.872 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 5.8 mt -70.07 -39.11 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 72.42 111.13 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 9.1 m -59.43 -40.14 85.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 73.22 111.125 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.0 m -65.39 -35.61 81.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 72.14 111.121 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 29.9 mt -58.7 -35.88 73.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.902 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -76.2 -28.65 57.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 75.05 110.898 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -75.2 -35.15 61.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.922 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.476 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 35.1 pt -73.93 -2.02 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.44 111.144 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -79.47 -33.5 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 64.01 110.896 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.62 -18.87 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 75.44 110.84 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.476 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -40.64 121.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 75.04 110.871 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -177.56 134.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.914 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.19 131.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 53.33 111.092 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 32.1 t -67.31 168.06 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.889 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -70.18 -34.49 73.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.44 -40.47 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.33 111.135 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 94.9 mt -73.71 -47.04 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 74.31 111.167 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 34.1 mtm -59.4 -34.53 72.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.908 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.69 -44.38 56.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.875 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -67.4 -37.7 83.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.852 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 86.1 p -56.39 -47.59 78.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 72.43 110.797 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 95.4 m -55.36 -46.52 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 73.02 111.158 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -49.06 -47.92 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 75.45 110.903 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 45.7 mt -75.57 -34.69 60.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.02 110.884 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -56.34 -63.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.911 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -63.9 -32.09 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.898 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -52.57 -53.64 43.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.91 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -75.67 -35.99 60.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 75.33 110.874 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -57.91 -39.36 77.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 75.43 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -61.45 -34.88 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 70.12 110.926 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 12.4 mtm -75.56 -35.35 60.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.852 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 65.35 110.851 -179.894 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 11.6 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.907 0.384 . . . . 65.44 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.9 tpt -53.17 -39.86 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.41 110.826 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.1 -37.05 66.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 75.42 110.897 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.4 t -67.87 -39.17 83.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.822 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -74.52 -34.18 62.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 71.24 110.855 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.39 -47.73 54.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 64.05 110.903 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -57.22 -29.17 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.44 110.908 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -74.56 -38.62 62.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 73.31 110.841 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 17.7 mt -61.11 -42.74 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.43 111.107 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -70.56 -36.12 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.89 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.98 65.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 75.12 111.116 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.25 -47.95 74.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.881 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.3 mt -61.28 -35.29 65.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 73.45 111.109 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -62.67 -46.52 87.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.887 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -75.84 -31.37 59.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.855 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 13.1 p -79.51 -2.21 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.822 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 34.4 mt -119.09 26.47 9.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 70.21 110.916 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.56 170.66 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.01 110.869 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.25 -36.92 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.33 111.142 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -93.79 -31.02 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 71.24 110.874 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -110.14 36.82 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.13 110.876 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.5 tp -52.66 107.43 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.926 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.07 81.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.889 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 10.9 m -61.98 -26.55 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 64.02 111.162 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -51.79 -39.21 58.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 75.41 110.898 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -75.88 -35.35 59.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 72.11 110.865 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 14.5 t -53.7 -57.05 12.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.872 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.53 -49.58 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 73.42 111.158 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.48 -35.19 38.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.3 -50.62 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 73.15 111.098 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 11.5 mt -52.16 -40.82 61.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 73.21 110.917 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -49.18 78.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.857 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -45.64 85.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 71.12 110.881 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -52.64 -54.38 34.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.932 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.9 70.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.1 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -37.21 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 63.33 110.903 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 49.1 mt -65.81 118.21 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 75.1 110.918 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -80.48 63.57 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 73.33 110.908 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.9 p -76.44 140.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 70.22 111.109 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.4 t -100.36 171.67 7.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 75.32 111.118 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -38.03 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.871 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -52.17 -58.87 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -66.54 -35.96 81.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 74.23 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.7 -46.47 81.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 64.44 111.077 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -51.97 -36.15 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 71.43 110.959 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 2.5 mmpp? -75.44 -35.54 60.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 71.25 110.845 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -95.22 35.61 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.838 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.4 p -57.7 -35.65 70.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 64.12 111.145 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.76 -44.35 97.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 75.43 110.872 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -55.38 -37.66 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.88 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 5.6 mt -68.62 -42.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 73.32 111.153 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 8.5 m -58.65 -39.31 80.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 96.2 m -65.23 -34.93 79.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.13 111.11 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.91 -35.26 77.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.922 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -75.9 -28.76 58.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 72.41 110.895 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -74.96 -35.95 62.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.88 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.478 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 34.0 pt -73.37 -1.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 55.54 111.13 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -78.82 -34.07 45.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 71.35 110.888 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -19.85 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 73.43 110.898 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.478 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.51 120.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.931 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -177.15 133.12 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.909 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.6 p -58.98 133.71 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.41 111.151 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.5 t -69.41 169.27 12.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.871 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -70.84 -34.57 71.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.891 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 5.8 p -53.21 -40.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 75.33 111.154 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 89.3 mt -73.88 -46.27 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.43 111.12 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 33.8 mtm -59.69 -34.3 72.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 75.13 110.877 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.44 -43.37 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.922 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -67.97 -34.74 77.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.54 110.919 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.2 p -58.65 -50.23 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 42.8 m -53.52 -44.59 69.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 71.42 111.14 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -50.55 -49.09 56.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.51 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 49.3 mt -74.39 -37.84 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.926 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -56.97 -57.23 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.903 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -63.89 -33.96 76.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 72.53 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -55.47 -53.83 51.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.907 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -68.49 -44.23 75.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 72.12 110.875 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -53.68 -40.79 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.04 110.948 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -59.65 -36.05 75.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 62.42 110.928 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 12.3 mtm -77.04 -34.96 57.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 74.43 110.879 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 75.14 110.862 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.897 0.379 . . . . 71.1 110.862 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.6 tpt -53.23 -38.6 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 71.15 110.862 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -73.77 -36.08 65.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.868 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 4.2 m -68.08 -36.32 79.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.867 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -77.43 -33.07 54.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 74.54 110.896 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 20.8 mt -74.83 -40.97 60.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.907 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -62.85 -35.35 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.84 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -77.18 -34.87 56.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.864 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 25.3 mt -62.38 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.143 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -71.99 -39.67 69.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.863 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.76 -42.87 81.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.4 111.075 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.78 -36.13 64.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 64.34 110.904 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 35.1 mt -75.0 -31.66 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 73.32 111.165 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -52.91 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.903 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -72.8 -31.17 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 73.11 110.901 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 16.7 m -75.23 -6.28 48.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 73.51 110.914 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 43.1 mt -117.44 25.98 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 72.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 169.79 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.909 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.9 tp -84.51 -37.64 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 75.13 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -93.05 -31.79 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 72.25 110.854 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -110.53 36.75 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.894 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 19.4 tp -53.13 106.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 73.5 110.919 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -126.51 70.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.15 110.821 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 6.7 m -54.34 -28.76 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.141 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -51.59 -43.81 62.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.87 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -76.07 -31.67 58.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.861 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 48.6 t -52.99 -45.9 68.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.904 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -66.11 -45.73 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 72.41 111.111 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.33 -33.49 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.906 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.79 -53.87 7.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 74.24 111.054 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.98 -35.66 47.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 75.53 110.893 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.63 -49.0 76.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 74.23 110.858 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -58.73 -45.99 88.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 72.41 110.891 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -52.44 -49.56 64.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.9 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -60.27 -34.15 73.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.121 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.91 -36.78 67.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.816 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 62.7 mt -67.4 119.96 13.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 72.4 110.916 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -77.6 60.38 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.92 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.79 137.05 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 54.23 111.12 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.1 t -102.65 170.14 8.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 73.21 111.166 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -35.97 47.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.911 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -59.29 4.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 70.25 110.916 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -35.82 82.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.873 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.3 -48.24 82.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.11 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -51.78 -35.9 45.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 75.25 110.919 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -81.73 -35.11 30.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 75.54 110.903 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -95.31 35.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.833 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 17.1 p -59.44 -35.53 74.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 63.35 111.193 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.6 -47.5 76.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 65.31 110.913 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 47.0 ttp -55.36 -37.62 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.928 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 53.6 mt -68.74 -43.18 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.095 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 41.0 m -54.36 -36.73 64.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 73.22 111.145 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -70.5 -40.75 73.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 72.14 111.175 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 10.9 mt -53.68 -36.82 62.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.918 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -28.91 57.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 75.05 110.896 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -75.66 -35.62 60.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.902 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.441 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 39.4 pt -73.66 -0.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.134 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -33.12 37.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.885 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -20.44 6.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.884 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.67 120.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.04 110.878 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -179.68 138.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 6.7 m -63.84 136.26 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 53.33 111.121 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 9.8 t -70.25 173.64 6.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.826 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -35.46 74.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 74.23 110.888 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 10.6 p -61.43 -29.6 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.33 111.112 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 78.2 mt -74.15 -51.47 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.149 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.1 ptp -66.28 -45.49 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.03 110.898 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.5 -33.33 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 73.25 110.895 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -76.91 -40.72 46.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.887 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.5 p -56.5 -49.13 75.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 72.43 110.851 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 84.8 m -52.6 -34.24 49.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 73.02 111.165 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -48.95 79.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.859 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 51.0 mt -74.56 -36.38 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 74.02 110.91 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -66.13 -37.82 86.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.928 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -73.6 -34.97 65.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 73.14 110.878 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -70.09 -39.28 75.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.854 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -75.38 -51.87 12.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.86 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -53.89 -32.28 52.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 75.43 110.924 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -68.07 -35.53 78.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 70.12 110.886 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 26.8 mtm -76.02 -34.62 59.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.937 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 65.35 110.821 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.858 0.361 . . . . 65.44 110.865 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.6 tpt -53.12 -38.37 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 74.41 110.904 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.29 -35.8 66.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.855 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 4.1 m -68.96 -38.2 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 73.54 110.844 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.79 -36.02 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 71.24 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 27.8 mt -71.47 -47.76 53.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 64.05 110.942 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -57.35 -31.07 65.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.895 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -76.66 -38.5 54.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 73.31 110.888 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 18.0 mt -62.52 -39.28 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.106 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -71.89 -43.55 65.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.843 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.36 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 75.12 111.095 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.96 -36.38 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.45 110.884 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 38.4 mt -72.73 -34.57 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.45 111.129 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -60.9 -51.11 70.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.9 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -71.31 -31.0 66.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 75.2 110.884 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 66.6 m -79.86 -2.01 41.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.855 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 25.8 mt -120.39 26.23 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 70.21 110.882 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -71.06 170.34 13.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 75.01 110.88 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.9 tp -84.02 -38.4 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.076 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -93.22 -31.1 14.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 71.24 110.891 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -110.5 36.42 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 19.9 tp -53.18 107.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 74.24 110.903 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.45 67.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.895 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 16.1 m -51.75 -30.72 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 64.02 111.128 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -52.15 -42.07 63.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.906 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -75.77 -32.89 60.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 72.11 110.891 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 45.3 t -53.08 -48.84 67.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 73.04 110.838 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -63.05 -44.83 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 73.42 111.143 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.33 -34.79 35.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.74 -51.49 11.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.15 111.108 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 16.7 mt -52.2 -35.44 49.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.933 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.38 -49.14 72.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.859 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -57.11 -47.05 82.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 71.12 110.864 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.38 -52.2 54.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 72.31 110.948 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.69 -34.35 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 71.22 111.125 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.99 -37.13 67.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 63.33 110.88 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 67.5 mt -67.78 119.86 13.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 75.1 110.918 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -77.51 60.7 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.863 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.92 137.56 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 70.22 111.122 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 13.2 t -103.05 170.04 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.15 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -36.05 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.888 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -59.16 5.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.896 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -36.09 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.927 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.52 -48.5 81.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 64.44 111.081 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -51.88 -36.07 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 71.43 110.92 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -81.19 -35.55 31.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 71.25 110.903 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -95.28 35.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.857 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 16.5 p -59.42 -35.26 73.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 64.12 111.106 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.54 -47.28 76.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 75.43 110.864 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 44.8 ttp -55.33 -39.95 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.844 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.29 -43.5 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 73.32 111.142 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 43.9 m -54.13 -36.89 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 75.14 111.14 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -70.52 -40.07 73.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 73.13 111.138 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 11.0 mt -54.19 -37.35 64.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.876 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.27 -28.55 57.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 72.41 110.943 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -75.69 -34.16 60.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.925 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.453 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 36.3 pt -75.31 -1.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 55.54 111.09 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -34.1 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 71.35 110.858 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.0 -17.23 9.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.862 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.453 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 5.6 t80 -43.07 115.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -174.2 137.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.864 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.5 p -59.25 137.93 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 73.41 111.155 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 9.8 t -71.97 179.98 3.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 72.24 110.832 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -39.6 29.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.54 110.928 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.47 -29.3 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 75.33 111.137 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 85.9 mt -75.02 -54.04 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 74.43 111.08 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.1 ptp -62.02 -44.37 96.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.859 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -63.32 -32.75 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.895 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -76.64 -39.54 52.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 74.54 110.915 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 60.3 p -57.85 -47.88 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 75.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 87.7 m -53.39 -34.35 57.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 71.42 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -48.05 82.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 75.51 110.86 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.54 -36.15 63.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 73.32 110.872 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -67.14 -37.6 84.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -73.49 -35.18 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.53 110.923 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -69.95 -39.26 76.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 72.32 110.896 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -75.29 -51.71 12.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 72.12 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -54.23 -32.38 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 74.04 110.951 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -68.02 -35.39 78.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 62.42 110.868 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 26.6 mtm -75.99 -34.72 59.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.869 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.84 -179.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.891 0.376 . . . . 71.1 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -39.9 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 71.15 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -73.3 -35.9 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.866 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -38.73 76.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 64.41 110.912 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -75.66 -34.91 60.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 74.54 110.892 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.78 -47.67 51.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.94 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -57.67 -30.46 65.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 72.33 110.873 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -73.18 -40.28 64.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.897 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 19.8 mt -60.62 -41.82 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.164 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -71.98 -39.53 69.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 71.44 110.82 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.83 -45.27 78.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 73.4 111.123 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -55.12 -53.8 51.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 64.34 110.851 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 51.9 mt -55.09 -35.61 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.15 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -58.65 -51.9 67.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.35 110.856 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -72.97 -32.85 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 73.11 110.915 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 8.2 m -74.05 -7.67 53.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.51 110.828 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 43.5 mt -115.21 26.22 10.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 170.58 10.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.43 -37.82 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 75.13 111.111 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -92.7 -31.53 15.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.887 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.51 36.36 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.883 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 19.5 tp -53.48 107.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.5 110.911 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -131.46 81.84 2.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.857 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 8.9 m -60.92 -26.96 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.073 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -51.93 -39.91 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.89 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -75.76 -34.69 60.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.854 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 7.9 t -53.37 -59.56 4.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 75.13 110.872 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.33 -48.73 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 72.41 111.119 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.88 -35.24 44.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.82 -53.51 7.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.128 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 85.4 mt -52.2 -35.49 49.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 75.53 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.6 -48.9 79.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.901 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -43.55 98.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.883 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -55.85 -37.11 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.953 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.08 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 74.42 111.116 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -36.41 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 74.33 110.821 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 73.5 mt -58.99 131.11 50.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 72.4 110.913 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -89.6 55.35 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.917 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.98 137.64 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 54.23 111.111 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -102.74 171.85 7.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.145 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -40.65 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.897 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.17 -59.26 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 70.25 110.865 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.43 -36.56 81.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.921 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.98 77.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 74.33 111.09 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -51.93 -37.91 54.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.918 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.4 -35.4 61.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.912 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -95.26 35.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.84 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -38.23 89.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 63.35 111.14 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.44 -48.97 73.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 65.31 110.883 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 53.8 ttp -55.35 -35.65 65.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.852 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 60.8 mt -68.47 -36.64 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 72.42 111.151 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 16.7 m -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 73.22 111.128 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.2 m -64.55 -35.63 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 72.14 111.124 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.56 -35.22 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.918 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -76.25 -29.2 57.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 75.05 110.889 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -74.8 -35.62 62.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.909 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 35.9 pt -73.23 -1.55 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.44 111.098 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -34.45 42.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.01 110.85 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.63 -18.71 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.467 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.6 OUTLIER -40.13 117.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.879 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -174.28 135.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 10.7 p -61.86 133.49 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 53.33 111.179 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 37.9 t -68.94 167.57 15.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.888 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -69.55 -35.16 75.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.36 -40.28 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 73.33 111.112 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 94.0 mt -73.56 -45.55 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.31 111.131 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.01 -33.25 72.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.88 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.31 -53.32 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.895 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -60.28 -41.22 92.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.887 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 94.1 p -54.95 -41.95 71.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 72.43 110.867 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 34.6 m -59.5 -57.75 11.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 73.02 111.14 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 8.5 ttp -49.5 -38.26 29.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 75.45 110.85 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 61.9 mt -75.23 -35.57 61.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 74.02 110.85 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -61.69 -62.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 74.23 110.942 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -59.54 -33.39 71.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -52.56 -46.34 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.885 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -75.51 -46.41 32.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 75.33 110.876 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 11.4 tttm -52.96 -36.84 60.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.909 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -60.81 -35.41 76.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 70.12 110.944 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 23.3 mtm -76.81 -35.35 57.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.886 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 65.35 110.874 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.887 0.375 . . . . 65.44 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.57 -39.05 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 74.41 110.876 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.15 -37.01 66.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.889 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -39.33 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 73.54 110.839 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.87 -36.35 62.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 71.24 110.861 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.57 -48.05 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 64.05 110.945 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -58.4 -32.64 68.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 71.44 110.896 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -70.3 -40.15 74.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 73.31 110.902 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 14.8 mt -61.81 -41.87 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.43 111.142 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -69.72 -38.68 76.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.841 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.69 -43.94 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 75.12 111.14 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -55.39 -54.09 48.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.45 110.893 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 54.3 mt -54.82 -35.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.45 111.127 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -58.32 -51.91 67.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.923 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -73.15 -32.59 64.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.88 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.2 m -74.12 -7.59 53.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.861 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 46.0 mt -115.49 26.22 10.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 70.21 110.901 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 170.7 9.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.01 110.917 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.4 tp -84.43 -37.84 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.134 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -92.86 -31.81 14.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 71.24 110.882 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.2 36.44 2.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.876 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 19.3 tp -53.42 107.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.922 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -131.69 81.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 74.12 110.867 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 9.4 m -61.08 -26.72 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.02 111.117 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -51.81 -39.95 59.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.873 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -75.86 -34.57 60.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.889 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 10.8 t -53.45 -58.87 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.04 110.897 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.5 -48.11 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.103 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.77 -35.59 44.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.78 -52.89 8.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.15 111.129 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 79.4 mt -52.21 -35.7 50.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.916 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.27 -49.04 78.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 74.33 110.872 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -42.88 99.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.896 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -56.01 -40.49 73.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.899 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.65 -35.09 72.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 71.22 111.057 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -37.08 67.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 63.33 110.856 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.54 131.18 50.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 75.1 110.875 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -90.02 55.57 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 73.33 110.925 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.95 137.46 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 70.22 111.149 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -101.97 172.47 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 75.32 111.164 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -40.46 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.859 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.43 -58.57 6.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.945 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.81 -36.29 80.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.891 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.71 -48.8 78.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 64.44 111.099 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -51.97 -36.89 51.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 71.43 110.959 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -35.77 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.25 110.883 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -95.36 35.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.874 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -37.78 86.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 64.12 111.156 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.43 -48.2 74.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 75.43 110.891 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 53.9 ttp -55.6 -36.8 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 75.43 110.893 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.54 -37.62 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 73.32 111.135 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 16.9 m -61.68 -39.73 92.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 75.14 111.151 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.0 m -64.42 -35.18 80.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 73.13 111.15 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 23.0 mt -58.28 -36.38 73.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 75.11 110.923 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -75.57 -29.07 59.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.916 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -74.27 -36.31 63.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.879 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.478 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 32.6 pt -73.46 -1.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 55.54 111.108 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -34.32 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 71.35 110.873 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.24 -18.82 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.868 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.478 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.86 118.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.896 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -174.79 134.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.11 134.3 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.126 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 37.2 t -69.73 168.22 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.858 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -70.1 -35.04 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 73.54 110.9 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 5.8 p -53.2 -40.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 75.33 111.133 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 86.9 mt -73.87 -45.07 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.43 111.149 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.9 mtm -61.12 -32.52 72.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.888 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.91 -53.47 13.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.914 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -59.97 -39.42 85.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.1 p -55.15 -46.62 75.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 37.7 m -56.68 -57.23 13.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 71.42 111.112 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 8.4 ttp -50.28 -35.7 28.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.866 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 50.3 mt -74.7 -46.44 37.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 73.32 110.922 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -59.65 -55.14 38.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.921 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -57.62 -35.14 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.92 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -57.99 -51.07 71.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.906 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -66.39 -46.8 75.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.907 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -53.22 -35.72 60.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 74.04 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.65 -35.53 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 62.42 110.893 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 23.3 mtm -76.53 -35.11 58.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.868 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 75.14 110.898 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.825 0.345 . . . . 71.1 110.873 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -34.24 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 71.15 110.863 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -73.49 -35.8 65.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.889 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -39.08 89.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.883 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -74.92 -33.62 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.54 110.878 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.19 -47.77 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.962 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -56.08 -28.64 58.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.883 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -77.2 -41.0 43.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.847 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 21.3 mt -59.69 -38.77 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 73.14 111.133 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -71.9 -51.14 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.838 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.63 94.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.4 111.11 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.17 -52.1 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 64.34 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 44.3 mt -59.24 -35.0 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.32 111.138 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -61.64 -52.46 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 71.35 110.863 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -70.77 -26.96 63.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 73.11 110.872 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.2 p -76.86 -27.18 54.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 73.51 110.852 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 37.4 mt -94.85 26.57 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 72.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 168.84 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.13 110.865 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.7 tp -84.9 -41.0 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 75.13 111.151 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -89.18 -33.74 16.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.879 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -106.78 36.56 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 74.44 110.857 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.7 tp -54.46 106.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 73.5 110.924 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -132.58 74.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.921 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 18.2 m -51.3 -28.99 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.121 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -51.29 -37.79 49.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.86 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -76.33 -35.45 58.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.846 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 23.6 t -55.6 -57.9 10.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 75.13 110.887 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -53.41 -49.07 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 72.41 111.096 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -51.66 -35.29 41.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.884 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.94 -51.33 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.121 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 45.9 mt -52.1 -40.9 61.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.53 110.952 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.69 -44.47 96.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.876 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -48.02 83.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.92 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -52.57 53.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 75.32 110.929 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.21 -34.19 63.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 74.42 111.143 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.39 -36.11 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.879 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 60.7 mt -70.9 123.96 23.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 72.4 110.901 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.96 73.56 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 74.43 110.921 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 23.6 t -71.05 132.31 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 54.23 111.101 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -95.56 172.48 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 73.21 111.179 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -39.15 80.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.825 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -60.56 -46.69 89.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 70.25 110.922 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.07 -44.45 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 71.44 110.908 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.68 -44.0 81.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.105 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -51.69 -36.41 46.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.891 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.9 -35.21 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 75.54 110.891 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -95.42 35.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.842 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.1 p -64.41 -39.4 93.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.35 111.147 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -55.46 -48.12 75.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 65.31 110.862 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 58.5 ttp -55.36 -36.13 65.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 74.31 110.921 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.95 -35.14 67.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 72.42 111.152 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 89.0 m -61.42 -40.22 93.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 73.22 111.119 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.0 m -62.44 -37.44 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 72.14 111.191 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 15.2 mt -56.37 -34.82 67.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.889 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -76.16 -28.61 57.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 75.05 110.877 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.53 -35.54 60.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 73.14 110.865 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.463 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 36.1 pt -73.47 -1.56 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 75.44 111.15 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -79.61 -33.59 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 64.01 110.889 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.82 -20.14 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.9 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.463 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.43 123.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.04 110.861 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -178.91 140.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.21 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.91 143.75 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 53.33 111.105 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 8.0 t -76.49 179.65 5.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.868 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -80.34 -33.61 37.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.923 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.12 -38.28 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.33 111.102 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 98.3 mt -67.08 -54.52 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.31 111.15 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 25.6 ptp -59.86 -33.96 72.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.03 110.872 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -73.61 -35.89 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.873 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -76.47 -35.71 58.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.0 p -58.15 -47.12 84.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 72.43 110.784 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 32.2 m -53.31 -45.29 68.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 73.02 111.122 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.7 tpt -50.88 -50.32 57.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.884 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.51 -44.17 71.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.02 110.903 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -54.94 -44.82 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.963 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -72.39 -44.67 62.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 73.14 110.867 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -53.81 -46.84 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.928 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -63.18 -45.22 92.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 75.33 110.915 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -35.88 76.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.91 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -52.92 -34.09 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 70.12 110.866 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 59.2 mtm -85.47 -35.58 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.832 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 65.35 110.893 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.903 0.382 . . . . 65.44 110.822 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -36.98 73.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 74.41 110.91 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -73.44 -39.54 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.86 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -39.54 94.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 73.54 110.868 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -74.69 -34.71 62.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 71.24 110.915 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.51 -47.86 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 64.05 110.891 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -55.76 -28.56 56.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.931 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -76.8 -39.32 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.891 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 17.7 mt -60.5 -38.37 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.104 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -71.32 -49.84 38.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.823 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.03 99.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 75.12 111.095 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.59 -51.19 67.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.832 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 43.3 mt -59.87 -35.47 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 73.45 111.145 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -61.05 -52.27 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 74.42 110.869 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -70.9 -27.21 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.2 110.888 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.7 p -76.68 -27.41 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.895 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 37.1 mt -94.45 26.3 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 70.21 110.926 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 168.85 9.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.01 110.895 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.91 -40.84 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 74.33 111.116 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -89.37 -33.55 16.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.872 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -106.88 36.56 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.885 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 16.8 tp -54.42 106.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 74.24 110.902 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -132.74 74.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 18.0 m -51.39 -29.04 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 64.02 111.126 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -51.38 -37.61 49.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 75.41 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -76.37 -35.53 58.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.874 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 20.1 t -55.35 -58.04 9.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 73.04 110.902 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.3 -47.62 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 73.42 111.143 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.96 -36.31 49.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.98 -48.86 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.15 111.11 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.11 -39.66 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.919 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.08 -48.31 80.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.846 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -46.73 79.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 71.12 110.88 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -54.93 25.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.916 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.48 64.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.22 111.071 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.62 -36.41 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.33 110.845 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 58.1 mt -72.17 121.56 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 75.1 110.909 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.37 72.32 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.904 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 24.6 t -69.49 132.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 70.22 111.126 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -96.2 172.34 8.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 75.32 111.136 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -38.53 79.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.83 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -60.99 -47.16 87.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.938 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -44.58 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.91 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.05 -44.28 78.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 64.44 111.095 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -51.81 -36.05 46.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.916 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.51 -35.5 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 71.25 110.915 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -95.24 35.6 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.861 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.1 p -63.45 -40.8 98.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 64.12 111.126 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -55.55 -47.31 76.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.901 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 53.9 ttp -55.35 -35.77 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.43 110.855 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 54.7 mt -70.1 -34.84 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.109 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 88.2 m -61.2 -40.08 92.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 75.14 111.137 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.4 m -62.38 -37.95 87.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 73.13 111.145 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 12.5 mt -55.87 -35.17 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.877 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -76.03 -28.48 57.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.898 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.54 -35.59 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.895 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.446 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 35.7 pt -73.49 -1.62 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 55.54 111.145 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -79.57 -33.39 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.86 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.06 -20.22 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.879 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -40.25 123.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 74.51 110.925 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -178.81 140.32 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.937 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.21 143.46 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 73.41 111.155 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 7.9 t -76.11 179.45 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 72.24 110.885 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -80.22 -33.72 37.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 73.54 110.914 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.09 -38.37 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 75.33 111.083 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 98.4 mt -66.87 -54.51 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.43 111.102 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.9 ptp -59.67 -33.89 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.904 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -73.8 -36.03 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.881 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -76.23 -34.97 59.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 74.54 110.849 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.8 p -58.89 -48.01 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 75.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 67.9 m -53.3 -44.44 68.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 71.42 111.173 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -51.53 -50.13 60.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 75.51 110.864 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 25.8 mt -71.5 -40.42 70.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.878 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.54 -44.12 84.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 75.05 110.916 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -73.55 -44.13 58.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 72.53 110.933 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -53.43 -47.85 69.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.932 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -62.46 -44.03 97.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 72.12 110.87 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -35.89 78.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.04 110.865 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -53.05 -33.54 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 62.42 110.875 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 59.4 mtm -85.56 -35.36 21.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.874 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 75.14 110.885 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.892 0.377 . . . . 71.1 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.12 -36.86 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 71.15 110.845 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.93 -35.82 64.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 75.24 110.817 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.2 -37.6 81.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 64.41 110.861 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -75.21 -34.21 61.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.828 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -47.64 54.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 73.52 110.876 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -57.76 -30.62 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.882 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -77.12 -43.46 34.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.883 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.55 -39.21 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.14 111.105 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -72.19 -45.07 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 71.44 110.796 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.96 87.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.4 111.063 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -54.77 -54.07 46.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 64.34 110.899 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 45.4 mt -55.39 -33.82 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 73.32 111.127 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -61.89 -52.09 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.35 110.922 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -69.56 -29.41 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.896 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 13.3 m -76.13 -26.92 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 73.51 110.822 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 22.6 mt -93.98 26.74 3.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 72.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.73 170.56 7.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 73.13 110.888 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.46 -39.79 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 75.13 111.095 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.02 -33.38 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 72.25 110.922 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -105.4 36.23 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.846 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 17.8 tp -55.57 107.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.5 110.927 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -134.55 76.03 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.908 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 5.3 m -51.42 -29.29 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.32 111.156 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -51.71 -37.73 52.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.911 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -75.98 -35.87 59.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.878 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 35.3 t -55.21 -58.93 5.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 75.13 110.899 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.57 -47.27 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 72.41 111.106 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.79 -36.79 49.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.883 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.15 -50.84 12.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 74.24 111.083 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 28.9 mt -51.94 -34.46 42.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.869 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.59 -49.2 78.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.916 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -51.88 -37.16 51.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.32 110.924 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.62 -34.6 76.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.42 111.092 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 8.4 t -79.05 -33.79 44.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.856 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.04 122.17 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 72.4 110.93 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -76.87 65.44 2.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.939 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -66.46 134.65 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 54.23 111.147 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.5 t -109.34 177.27 4.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 73.21 111.107 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.41 110.891 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -51.5 -50.47 59.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 70.25 110.927 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -38.59 63.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 71.44 110.864 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.09 -48.02 74.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.13 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -51.71 -35.79 44.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.911 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -81.47 -35.53 30.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 75.54 110.937 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -95.49 35.77 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.845 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.0 p -60.84 -37.54 82.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 63.35 111.145 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -45.34 84.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 65.31 110.872 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 48.4 ttp -55.36 -38.23 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 48.0 mt -69.06 -43.11 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 72.42 111.113 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 34.9 m -54.32 -37.51 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.22 111.136 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.8 m -68.07 -42.5 80.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.14 111.147 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 27.5 mt -52.36 -38.16 58.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 75.13 110.916 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -75.9 -28.75 58.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 75.05 110.895 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -74.94 -36.01 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.911 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.46 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 34.3 pt -73.2 -1.53 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 75.44 111.136 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.06 -34.57 43.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.01 110.873 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.1 -18.6 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.44 110.872 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.46 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.2 OUTLIER -41.27 121.81 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.936 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -177.95 137.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.13 134.88 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 53.33 111.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 28.4 t -71.73 173.16 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.853 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -73.19 -34.07 65.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 74.23 110.889 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 4.6 p -53.18 -41.32 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.14 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 98.2 mt -73.68 -49.66 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.129 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 36.2 mtm -55.81 -33.55 64.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.858 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.56 -53.36 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 73.25 110.89 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -59.76 -39.64 85.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.872 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -55.05 -47.67 74.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 72.43 110.847 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 24.8 m -57.16 -46.84 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 73.02 111.145 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 12.9 ttp -53.82 -42.25 68.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 75.45 110.851 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.22 -44.75 51.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 74.02 110.958 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -56.06 -47.65 77.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.921 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -63.07 -40.99 99.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 73.14 110.893 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -53.56 -51.47 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.903 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -66.53 -35.1 79.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 75.33 110.883 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -61.23 -37.47 83.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.895 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.05 -39.82 95.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 70.12 110.906 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 8.7 mtm -74.87 -32.85 61.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.9 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 65.35 110.887 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.899 0.381 . . . . 65.44 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.37 -35.79 60.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 74.41 110.89 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.78 -35.78 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 75.42 110.879 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -37.97 81.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.871 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -74.87 -33.62 62.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 71.24 110.837 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.18 -33.24 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 64.05 110.956 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.56 -35.14 72.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.897 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -77.05 -38.32 52.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.871 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.07 -40.81 88.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 75.43 111.156 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -72.05 -41.57 67.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.841 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.98 77.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.12 111.102 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -55.1 -51.22 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.901 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.7 mt -57.79 -33.53 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 73.45 111.16 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -62.59 -52.07 64.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.928 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -69.4 -30.28 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.2 110.907 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 14.3 m -76.06 -26.62 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.832 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 21.4 mt -94.11 26.72 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 70.21 110.957 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.1 171.3 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.01 110.925 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.7 tp -84.57 -39.7 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.33 111.101 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -91.61 -32.97 15.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.879 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -105.01 36.31 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.904 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 17.1 tp -56.0 107.5 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.907 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -135.08 76.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.891 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 5.6 m -51.98 -28.89 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 64.02 111.077 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.61 -38.5 54.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 75.41 110.888 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -75.95 -35.41 59.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.868 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 20.1 t -54.64 -59.89 4.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.901 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.5 -45.55 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 73.42 111.112 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.15 -37.55 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.98 -50.12 13.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 73.15 111.094 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 29.4 mt -51.98 -34.31 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.959 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.95 -48.94 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.862 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -58.5 -50.55 73.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.897 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -52.41 -37.43 56.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.924 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.19 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 71.22 111.108 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 8.4 t -79.96 -34.16 38.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 63.33 110.852 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.6 mt -65.37 123.94 20.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 75.1 110.918 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -77.76 73.24 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.944 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.96 141.24 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 70.22 111.087 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -116.02 173.08 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.162 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -39.98 96.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.904 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.75 -50.32 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.95 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -38.72 65.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.911 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -54.81 -48.43 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 64.44 111.065 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.99 -35.81 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.879 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -81.37 -35.63 30.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 71.25 110.895 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -95.38 35.52 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.851 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 3.5 p -60.77 -37.42 81.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 64.12 111.117 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -46.39 81.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 75.43 110.902 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 44.3 ttp -55.25 -36.55 66.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.897 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 22.3 mt -70.13 -43.11 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 73.32 111.119 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 33.1 m -56.3 -36.62 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.14 111.122 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.0 m -67.83 -43.38 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 73.13 111.152 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 18.7 mt -53.1 -36.71 61.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.923 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -76.29 -28.69 57.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 72.41 110.859 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -75.55 -35.38 60.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 72.14 110.9 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.492 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 35.7 pt -73.35 -1.58 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 55.54 111.168 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -79.17 -34.35 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 71.35 110.865 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -18.15 7.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.896 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.492 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -41.16 121.94 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 74.51 110.864 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -177.8 138.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.917 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.05 134.51 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.41 111.095 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.1 t -71.36 172.02 10.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 72.24 110.865 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -72.18 -34.29 68.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 73.54 110.906 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.01 -41.84 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 75.33 111.145 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 97.9 mt -73.06 -49.96 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.43 111.128 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 36.6 mtm -55.62 -33.86 64.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.871 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.32 -53.3 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.881 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -59.66 -40.22 87.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.913 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.3 p -55.0 -46.54 75.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 75.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 25.0 m -58.18 -46.75 85.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 71.42 111.156 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 12.9 ttp -54.28 -41.81 69.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 75.51 110.898 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 51.6 mt -74.36 -45.07 49.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 73.32 110.888 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -55.56 -47.28 76.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.911 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -61.74 -39.65 92.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -55.04 -51.59 65.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 72.32 110.864 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -65.91 -31.88 73.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 72.12 110.843 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -67.05 -35.0 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.04 110.922 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -64.77 -43.7 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 62.42 110.878 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.1 ptp -73.97 -31.79 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.866 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 75.14 110.895 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.841 0.353 . . . . 71.1 110.816 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.61 -38.44 64.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 71.15 110.862 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -73.43 -35.75 65.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.24 110.915 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.16 -36.58 79.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 64.41 110.876 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -77.57 -33.54 53.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 74.54 110.848 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 18.9 mt -75.03 -40.74 60.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.892 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.07 -35.36 79.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.897 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -77.28 -35.33 55.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 75.43 110.857 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 26.8 mt -62.34 -42.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.114 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -72.11 -45.38 60.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.881 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.62 99.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.4 111.129 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -54.98 -42.37 72.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 64.34 110.903 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 38.8 mt -66.06 -34.19 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 73.32 111.153 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -58.79 -52.12 67.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.933 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -70.38 -33.58 71.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.895 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 9.6 p -74.66 -10.62 59.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 73.51 110.858 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 31.5 mt -113.23 26.44 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 72.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.79 169.76 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.884 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.29 -38.66 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 75.13 111.151 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -91.7 -31.96 15.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 72.25 110.858 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -109.76 36.35 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.864 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 18.7 tp -53.69 107.32 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 73.5 110.885 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -132.03 80.9 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 74.15 110.843 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 11.3 m -59.28 -27.16 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.32 111.125 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -51.72 -40.19 59.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 71.21 110.904 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -35.17 59.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.833 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 13.3 t -53.42 -57.58 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.858 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.58 -49.69 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.41 111.147 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.89 -34.17 39.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.9 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.87 -53.96 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.067 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.7 mt -52.09 -42.7 63.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 75.53 110.907 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -48.97 77.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.86 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -44.95 82.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 72.41 110.875 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -54.16 33.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.898 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.08 -33.94 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 74.42 111.108 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 58.0 m -71.97 -36.85 69.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.818 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 61.2 mt -69.78 116.29 10.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 72.4 110.916 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -75.23 72.12 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.898 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -83.12 143.56 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 54.23 111.118 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.3 t -104.91 170.01 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.21 111.117 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.65 -37.15 58.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 74.41 110.857 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -51.89 -57.93 7.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 70.25 110.903 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -61.16 -35.5 77.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 71.44 110.96 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.97 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.099 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.32 -38.44 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.25 110.914 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -85.32 -33.45 22.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 75.54 110.936 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -96.39 35.54 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.813 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.4 p -61.67 -35.12 77.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 63.35 111.161 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -46.03 87.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 65.31 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 48.4 ttp -55.3 -37.51 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 74.31 110.91 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 5.9 mt -70.26 -42.99 78.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 72.42 111.1 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 85.9 m -54.41 -40.17 67.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 73.22 111.081 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 65.9 m -64.93 -42.3 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.14 111.176 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 16.1 mt -52.46 -36.19 54.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.924 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -28.84 57.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.05 110.887 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -75.88 -36.0 59.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.886 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.464 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 37.3 pt -72.97 -1.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 75.44 111.153 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.89 -34.3 44.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 64.01 110.892 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 -19.4 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.903 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -40.25 118.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.887 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.87 134.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.921 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.6 134.61 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 53.33 111.123 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 22.9 t -69.94 172.38 7.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.88 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -73.68 -34.64 64.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.918 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.9 p -54.82 -39.76 49.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 73.33 111.118 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.2 -44.52 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.31 111.145 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.2 mtm -61.1 -42.82 99.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.883 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.98 -33.66 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.901 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -74.11 -34.85 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 75.21 110.905 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.9 p -62.17 -47.37 84.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 72.43 110.892 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 46.1 m -52.42 -42.9 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 73.02 111.105 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 6.1 tpt -51.69 -52.35 48.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.884 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.31 -42.35 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.944 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -55.04 -47.8 74.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 74.23 110.93 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -71.84 -35.67 69.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.92 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -59.02 -45.49 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.914 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -75.37 -36.16 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.895 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -66.69 -35.13 79.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.881 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.68 -35.58 70.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 70.12 110.87 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 53.8 mtm -85.95 -32.66 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.848 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 65.35 110.89 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.889 0.376 . . . . 65.44 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.14 -37.75 62.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 74.41 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -73.4 -35.53 65.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.899 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.33 -37.92 77.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 73.54 110.82 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -74.94 -37.09 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 71.24 110.847 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 29.6 mt -71.51 -47.57 54.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 64.05 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.85 -30.93 64.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -76.72 -40.86 47.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.822 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 16.7 mt -60.51 -40.27 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 75.43 111.124 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -71.88 -50.12 32.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.839 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.1 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 75.12 111.098 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -54.94 -42.26 72.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.929 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 30.6 mt -65.69 -34.93 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 73.45 111.131 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -58.15 -52.06 67.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.892 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -70.32 -33.61 71.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.2 110.892 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.5 p -74.62 -10.55 59.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.871 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 32.0 mt -113.5 26.34 10.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 70.21 110.924 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.78 169.82 13.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 75.01 110.912 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.33 -38.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.164 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.87 -31.96 15.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.882 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -109.7 36.3 3.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 75.13 110.909 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 18.4 tp -53.71 107.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.906 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -131.92 80.76 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.869 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 11.5 m -59.12 -27.3 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 64.02 111.13 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -51.72 -40.28 59.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.867 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -34.81 59.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.862 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 12.2 t -53.42 -57.84 9.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 73.04 110.903 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.46 -48.7 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 73.42 111.147 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.79 -35.3 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.59 -53.54 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 73.15 111.106 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 4.7 mt -52.17 -42.64 63.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.934 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -47.38 84.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.849 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.5 -45.25 85.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.886 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.21 -54.46 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.925 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.16 -33.94 65.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 71.22 111.131 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 58.1 m -72.84 -36.57 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 63.33 110.84 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 63.8 mt -70.08 116.52 10.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 75.1 110.915 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -75.63 71.35 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.33 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -82.96 142.56 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 70.22 111.158 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.4 t -103.11 170.76 7.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 75.32 111.185 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -36.95 63.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.31 110.879 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -51.85 -54.68 26.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.94 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.12 -35.99 82.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.48 94.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 64.44 111.104 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.39 -35.98 41.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.928 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -87.29 -33.62 19.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 71.25 110.917 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -98.24 35.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.865 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.3 p -61.02 -35.55 77.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 64.12 111.14 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -45.37 86.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.864 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 48.0 ttp -55.43 -38.03 68.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 6.2 mt -69.45 -43.06 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 73.32 111.153 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 85.5 m -54.49 -40.36 68.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 75.14 111.121 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.2 m -64.81 -42.34 95.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.13 111.129 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 16.4 mt -52.49 -36.38 54.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.903 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -28.87 58.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.927 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -75.84 -36.01 59.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.871 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.474 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 37.4 pt -72.89 -1.66 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 55.54 111.182 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -78.85 -34.4 45.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.862 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -19.41 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.882 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.474 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.35 118.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.51 110.859 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -174.99 134.34 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.17 134.66 25.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 73.41 111.132 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 22.7 t -70.07 172.19 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 72.24 110.828 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -73.31 -35.13 66.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.953 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.0 p -54.41 -39.7 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 75.33 111.163 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 89.4 mt -74.19 -44.57 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 74.43 111.137 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.2 mtm -60.99 -42.66 98.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.872 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.11 -33.77 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.93 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -74.07 -34.59 64.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.911 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.6 p -62.42 -47.43 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 75.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 47.0 m -52.45 -42.62 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 71.42 111.137 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 6.0 tpt -51.82 -52.3 50.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.891 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.47 -42.36 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.873 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -54.95 -48.1 73.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.923 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -71.43 -36.61 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 72.53 110.877 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -58.49 -45.18 89.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.901 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -75.27 -37.19 61.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 72.12 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -65.61 -34.98 79.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 74.04 110.92 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.86 -35.16 68.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.42 110.903 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 54.5 mtm -85.97 -33.39 21.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.908 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.14 110.872 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.913 0.387 . . . . 71.1 110.856 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.3 ttm -57.15 -36.68 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 71.15 110.87 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -73.74 -35.65 65.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.24 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -38.34 84.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 64.41 110.861 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -74.71 -33.49 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.887 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.12 -32.86 63.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.887 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.6 -34.72 72.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.923 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -77.32 -36.02 54.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.882 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 31.7 mt -60.99 -43.01 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.11 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -72.59 -45.37 59.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.889 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.07 93.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 73.4 111.068 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.82 -45.09 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 64.34 110.911 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.45 -34.17 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.117 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -52.74 -52.23 57.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 71.35 110.897 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -75.04 -26.66 59.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.846 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.4 p -79.03 -2.73 41.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.51 110.904 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 43.8 mt -121.5 25.86 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 72.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -69.18 169.97 11.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.894 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.1 tp -84.32 -39.8 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.13 111.129 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -92.83 -31.41 15.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.881 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -111.26 36.51 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 21.6 tp -53.28 107.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 73.5 110.905 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -125.71 74.29 1.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 74.15 110.875 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 16.6 m -57.86 -28.59 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 73.32 111.122 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -52.09 -39.96 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 71.21 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -33.23 60.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.871 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 45.7 t -53.1 -58.98 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.883 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.72 -47.48 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 72.41 111.121 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.57 -35.38 41.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.11 110.925 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.0 -53.91 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 74.24 111.112 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 18.4 mt -52.23 -36.03 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.928 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -62.84 -46.08 89.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.897 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -46.4 90.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 72.41 110.902 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.59 -43.89 65.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.913 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -61.66 -34.51 75.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.42 111.063 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -36.01 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.853 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 63.5 mt -68.06 109.32 3.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 72.4 110.866 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -77.4 61.64 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.91 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -70.19 140.81 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 54.23 111.137 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -92.89 173.15 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.146 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -35.51 76.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 74.41 110.843 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -55.12 -56.46 19.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 70.25 110.903 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.43 -39.35 65.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.81 -51.28 68.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.091 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -52.36 -37.8 57.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 75.25 110.891 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -66.47 -33.98 76.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.892 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -94.91 35.68 1.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.861 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.44 -34.56 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 63.35 111.131 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.57 -48.45 74.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 65.31 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 24.1 ttp -55.28 -56.23 22.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.31 110.884 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.1 mt -52.24 -43.09 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 72.42 111.125 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 56.7 m -55.53 -39.44 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 73.22 111.121 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 90.5 m -68.14 -39.07 82.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 72.14 111.077 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 27.4 mt -54.6 -36.95 64.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 75.13 110.866 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -76.64 -28.74 56.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 75.05 110.875 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -75.68 -33.8 60.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.883 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.475 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 36.4 pt -75.14 -2.27 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 75.44 111.187 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -77.66 -34.07 53.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 64.01 110.869 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.1 -14.31 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.44 110.839 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.475 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 11.5 t80 -45.56 108.55 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 75.04 110.876 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -166.31 139.58 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.21 110.901 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 6.1 p -61.21 131.14 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 53.33 111.125 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 16.8 t -61.33 177.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.868 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.22 -40.2 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.913 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.1 -39.87 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.33 111.077 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.25 -54.48 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.31 111.122 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 17.7 ptp -62.3 -31.47 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.03 110.892 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -74.95 -37.69 61.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 73.25 110.898 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -73.96 -38.73 64.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.868 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 63.2 p -55.08 -48.76 73.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 72.43 110.856 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 57.9 m -52.81 -42.67 65.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 73.02 111.152 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -51.08 64.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 75.45 110.819 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.91 -36.91 72.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -60.08 -42.7 95.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.927 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -72.25 -41.41 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 73.14 110.921 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.65 -51.59 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.884 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -69.7 -36.83 76.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 75.33 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -60.42 -40.82 92.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -58.41 -34.45 70.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 70.12 110.934 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 38.2 mtm -85.47 -34.71 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.876 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.888 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.887 0.375 . . . . 65.44 110.865 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.3 ttm -56.67 -36.89 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 74.41 110.911 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -73.66 -34.86 65.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 75.42 110.823 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -38.5 80.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.829 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -74.28 -34.78 63.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.64 -47.44 60.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 64.05 110.868 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -59.0 -30.41 67.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 71.44 110.886 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -76.14 -42.03 48.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.931 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 16.9 mt -59.71 -39.33 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.43 111.116 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -72.09 -50.76 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.846 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.08 88.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.12 111.11 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.89 -44.05 73.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.888 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.3 mt -68.69 -34.53 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 73.45 111.181 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -51.8 -52.05 51.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.876 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -75.07 -26.83 59.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.847 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -77.5 -4.01 43.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.842 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 53.9 mt -121.2 25.92 9.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 70.21 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.04 170.42 8.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.01 110.902 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 6.1 tp -84.98 -39.53 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.146 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -93.01 -31.33 14.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 71.24 110.863 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -111.48 36.67 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.891 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.6 tp -53.12 107.11 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.915 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -126.8 77.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.878 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 8.1 m -59.99 -27.04 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.02 111.091 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -51.87 -39.97 59.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.879 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -33.25 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 72.11 110.872 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 47.6 t -53.19 -59.11 4.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 73.04 110.864 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.8 mt -53.73 -47.13 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 73.42 111.191 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.88 -35.65 45.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 75.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.89 -53.55 7.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 73.15 111.074 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.1 -35.82 49.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.49 -42.7 95.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.886 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -47.89 80.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 71.12 110.896 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.4 -45.85 66.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 72.31 110.9 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.66 72.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 71.22 111.086 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -36.21 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 63.33 110.859 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.14 109.4 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 75.1 110.922 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -77.37 61.85 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 73.33 110.91 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -70.34 140.31 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 70.22 111.149 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -92.25 173.1 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 75.32 111.117 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -35.72 77.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.847 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -55.06 -55.89 25.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.91 -38.27 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.919 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.58 -51.1 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 64.44 111.082 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -52.7 -36.62 57.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 71.43 110.883 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -66.58 -34.98 79.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 71.25 110.891 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -95.09 35.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.872 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.73 -34.86 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 64.12 111.12 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.42 -47.09 76.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 26.6 ttp -55.9 -56.64 18.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.859 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 3.0 mt -51.81 -43.11 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 73.32 111.114 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 56.1 m -55.43 -38.17 68.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 75.14 111.128 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 89.5 m -69.62 -39.58 77.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 73.13 111.128 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 22.9 mt -53.99 -36.15 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.953 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -76.53 -29.07 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.41 110.885 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -75.48 -34.42 60.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.14 110.944 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.444 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 38.9 pt -74.92 -1.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 55.54 111.079 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -82.55 -32.3 28.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 71.35 110.871 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.88 -20.2 8.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.925 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.444 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -41.57 118.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.89 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -175.28 140.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.921 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.93 127.66 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 73.41 111.124 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 14.8 t -58.45 170.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 72.24 110.819 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.03 -35.3 76.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 73.54 110.887 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.5 p -60.04 -39.71 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.33 111.093 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.2 -54.13 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.43 111.097 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.2 ptp -64.61 -31.62 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.878 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.39 -40.52 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.867 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -72.78 -38.35 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.903 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 60.7 p -55.09 -49.67 71.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 75.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 90.6 m -52.68 -42.5 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 71.42 111.136 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -51.99 61.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.51 110.894 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 66.4 mt -69.99 -38.29 75.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 73.32 110.921 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -57.99 -44.57 87.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 75.05 110.939 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.01 -41.01 71.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 72.53 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -51.04 64.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 72.32 110.863 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -70.99 -37.07 72.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 72.12 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -59.87 -40.66 89.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -58.43 -34.41 70.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 62.42 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.4 mtm -85.99 -33.97 20.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.861 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 75.14 110.874 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.838 0.351 . . . . 71.1 110.845 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -39.05 64.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 71.15 110.898 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.34 -34.72 65.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.903 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 8.6 t -66.47 -39.7 88.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 64.41 110.871 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -33.36 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.904 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.45 -47.64 59.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 73.52 110.876 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -57.6 -30.94 65.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.902 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -77.43 -42.15 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.889 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 19.3 mt -59.41 -41.67 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.079 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -72.09 -49.15 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 71.44 110.865 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.45 93.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.4 111.103 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.82 -54.03 47.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 64.34 110.842 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 44.1 mt -56.26 -33.81 38.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.32 111.112 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -61.91 -52.21 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.877 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.69 -31.19 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 73.11 110.901 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 16.3 m -74.48 -26.72 60.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 73.51 110.854 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 21.2 mt -93.96 26.71 3.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 72.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.98 171.03 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.869 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.43 -39.14 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.13 111.143 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -92.17 -32.09 15.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 72.25 110.856 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -105.96 36.33 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.876 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 17.5 tp -55.96 107.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 73.5 110.946 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.83 75.68 1.59 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.239 -0.437 . . . . 74.15 110.848 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 5.9 m -51.56 -28.95 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 73.32 111.152 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -51.75 -38.29 54.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 71.21 110.884 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -76.11 -35.33 59.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.85 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 25.9 t -54.84 -59.51 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.851 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 2.7 mp -53.28 -46.16 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 72.41 111.131 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.77 -36.66 48.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 74.11 110.935 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.09 -51.51 10.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 74.24 111.096 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 22.1 mt -51.88 -35.42 45.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 75.53 110.92 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -61.7 -46.67 88.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.875 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -61.86 -47.28 85.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.84 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.41 -45.15 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 75.32 110.935 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -64.0 -34.66 78.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.106 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -36.28 63.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 74.33 110.863 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.44 116.1 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 72.4 110.911 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.21 62.48 2.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.903 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.26 138.81 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 54.23 111.133 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -98.85 173.82 6.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 73.21 111.126 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.19 -38.37 79.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 74.41 110.919 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -55.18 -56.96 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 70.25 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -67.07 -38.82 86.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.928 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.98 -45.11 91.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.33 111.114 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.84 -36.13 47.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.876 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -75.76 -35.67 60.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.912 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -95.5 35.51 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.904 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.8 p -56.8 -36.66 70.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 63.35 111.217 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -46.89 81.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 65.31 110.896 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -55.43 -36.1 66.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.882 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 10.1 mt -69.97 -39.89 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 72.42 111.14 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 55.3 m -58.51 -42.82 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 73.22 111.167 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -61.96 -38.46 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 72.14 111.153 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.79 -35.89 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.937 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -76.09 -28.59 57.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.908 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -75.47 -35.6 60.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 73.14 110.856 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.464 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 35.5 pt -73.29 -1.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.44 111.146 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -79.0 -34.43 44.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 64.01 110.867 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.14 -18.81 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.867 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.2 OUTLIER -40.8 118.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.04 110.865 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -174.56 135.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.917 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.49 132.86 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 53.33 111.11 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 30.1 t -69.7 172.77 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.886 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.25 -33.74 65.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 74.23 110.918 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.13 -41.81 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.33 111.122 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.72 -48.87 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 74.31 111.176 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 12.7 mtm -56.14 -34.23 65.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.883 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.16 -53.13 13.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.931 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -59.93 -40.95 90.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.907 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 93.1 p -54.94 -43.34 73.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.905 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 16.9 m -59.25 -52.78 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 73.02 111.185 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -42.5 41.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.904 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 55.2 mt -75.35 -35.15 61.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 74.02 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -58.92 -63.28 1.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.959 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -61.15 -33.39 73.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.14 110.893 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -53.06 -45.77 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.905 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -75.36 -49.91 17.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.867 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -52.08 -37.99 55.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 75.43 110.894 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -51.9 -35.45 45.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 70.12 110.856 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 57.0 mtm -85.39 -35.27 21.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.856 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 65.35 110.913 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.84 0.353 . . . . 65.44 110.78 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -37.14 61.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.862 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.99 -33.4 63.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 8.5 t -68.85 -37.25 79.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.845 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -32.49 57.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 71.24 110.886 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.24 -41.38 61.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 64.05 110.891 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -63.1 -36.05 82.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.44 110.908 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -76.97 -36.32 56.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.838 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 28.7 mt -63.14 -42.61 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.43 111.121 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -72.09 -43.89 64.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.86 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 75.12 111.071 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.05 -52.19 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 74.45 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.0 mt -57.89 -33.61 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 73.45 111.155 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -62.27 -52.27 64.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 74.42 110.944 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.93 -31.3 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 15.8 m -74.6 -26.78 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.843 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 21.4 mt -93.73 26.67 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 70.21 110.91 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.13 171.05 7.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 75.01 110.887 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.7 tp -84.41 -38.92 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.112 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.53 -31.98 15.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 71.24 110.844 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -105.85 36.42 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.909 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.11 107.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.914 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.95 75.62 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.845 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 6.2 m -51.51 -29.13 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 64.02 111.1 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -51.63 -38.29 54.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.909 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -76.13 -35.46 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 72.11 110.878 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 29.5 t -54.55 -59.02 5.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 73.04 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 2.7 mp -53.41 -44.81 56.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.42 111.147 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.96 -37.28 52.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.99 -51.01 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.15 111.124 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 19.8 mt -52.07 -35.52 47.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.93 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -63.03 -46.66 86.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.924 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -61.03 -47.23 87.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.9 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -52.61 -49.2 65.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 72.31 110.887 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.88 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.081 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -36.62 63.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 63.33 110.821 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.28 116.66 6.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 75.1 110.895 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.97 61.16 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 73.33 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.34 138.38 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.22 111.121 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -98.2 173.82 6.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 75.32 111.134 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.25 -38.41 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.31 110.887 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -55.19 -56.56 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.97 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -67.22 -38.44 85.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.945 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.38 -44.86 92.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 64.44 111.089 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -51.77 -36.0 45.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.922 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -75.87 -35.91 59.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 71.25 110.912 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -95.57 35.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.855 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 3.0 p -57.02 -35.69 69.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 64.12 111.131 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.51 -46.35 83.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.92 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -55.8 -36.2 67.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 75.43 110.885 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 9.6 mt -69.68 -39.85 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.141 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 52.6 m -59.47 -41.53 89.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 75.14 111.116 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.7 m -63.51 -36.1 82.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.13 111.126 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 27.6 mt -58.95 -36.05 74.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.908 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -75.95 -28.82 58.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.871 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -74.89 -35.97 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 72.14 110.882 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.48 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 33.6 pt -73.38 -1.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 55.54 111.159 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -79.22 -34.37 42.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.83 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.11 -18.78 7.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.842 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.48 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.2 OUTLIER -40.9 119.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.935 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -174.63 135.77 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.879 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 13.5 p -62.58 132.45 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 73.41 111.112 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 31.4 t -69.12 172.65 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.834 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.29 -33.8 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 73.54 110.892 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.13 -41.66 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.33 111.142 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 96.9 mt -73.71 -48.55 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 74.43 111.116 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.6 mtm -56.68 -33.8 66.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.813 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.63 -52.53 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.848 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -60.47 -39.21 86.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 74.54 110.889 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 79.1 p -54.96 -47.3 74.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 32.4 m -57.09 -49.47 75.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 71.42 111.167 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -43.32 60.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.848 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.43 -40.38 61.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.915 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -59.41 -58.01 10.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.887 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.09 -35.23 74.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 72.53 110.852 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -56.95 -51.52 68.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.878 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -65.28 -51.23 62.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 72.12 110.869 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -52.21 -37.59 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.04 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -52.4 -35.36 51.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 62.42 110.894 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 56.3 mtm -85.5 -35.47 21.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.87 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 75.14 110.846 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.853 0.358 . . . . 71.1 110.849 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -36.07 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.15 110.863 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.79 -46.72 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.884 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 14.6 t -60.11 -39.05 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 64.41 110.861 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -75.26 -33.95 61.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.87 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 10.9 mt -69.07 -47.86 64.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.924 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -26.56 43.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.33 110.913 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -76.97 -38.12 53.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.875 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 56.5 mt -61.92 -41.52 91.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.129 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -71.82 -42.79 66.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.851 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.36 -44.67 86.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 73.4 111.122 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -55.15 -50.67 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 43.0 mt -57.29 -35.36 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 73.32 111.108 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -47.28 83.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.897 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -75.73 -30.57 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 73.11 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.7 p -78.03 -3.06 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.833 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 51.8 mt -121.45 26.03 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 72.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 170.67 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.885 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.9 tp -84.52 -41.0 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 75.13 111.127 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -92.16 -32.36 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.851 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -109.88 36.34 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.889 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 17.3 tp -53.51 107.61 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 73.5 110.908 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -123.64 69.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.869 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 6.8 m -52.38 -30.06 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 73.32 111.117 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -52.21 -42.06 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.877 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -35.56 59.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.872 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 42.4 t -53.96 -37.18 63.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 75.13 110.884 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.1 mt -73.76 -50.24 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 72.41 111.125 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.53 -34.51 36.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.937 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.65 -53.8 7.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.109 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 70.5 mt -52.03 -43.87 63.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 75.53 110.882 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -63.24 -35.01 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.875 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.96 -46.21 82.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.884 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -51.39 -53.19 39.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.92 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.93 -24.97 41.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.099 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.25 26.79 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.88 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 22.4 mt -111.66 -30.67 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 72.4 110.877 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 49.99 50.26 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.872 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.73 147.3 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 54.23 111.106 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -82.63 173.9 11.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 73.21 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 4.3 ttt -64.16 -38.09 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 74.41 110.855 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -55.15 -55.54 30.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 70.25 110.968 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -72.75 -35.69 67.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.899 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.66 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.092 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -51.6 -51.54 54.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.931 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -51.97 -33.95 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 75.54 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -95.15 35.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.854 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -35.22 69.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 63.35 111.119 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.84 -44.18 90.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 65.31 110.904 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 49.1 ttp -55.35 -44.88 76.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.922 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 5.7 mt -60.73 -42.01 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 72.42 111.154 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 7.3 m -54.99 -37.04 66.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 73.22 111.181 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.8 m -70.28 -35.42 73.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 72.14 111.138 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.95 -36.24 78.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 75.13 110.903 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -28.78 56.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.05 110.886 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -75.91 -35.42 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.875 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.459 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 41.0 pt -73.11 -1.88 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 75.44 111.138 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -33.63 45.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 64.01 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -20.48 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.874 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.459 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -42.43 113.67 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.04 110.873 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 31.6 pttt -175.63 133.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 2.2 m -51.9 145.94 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 53.33 111.096 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 40.7 t -87.87 157.32 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 74.43 110.882 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -52.24 -35.65 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 74.23 110.879 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -58.84 -40.0 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 73.33 111.117 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 80.1 mt -73.25 -50.68 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.31 111.093 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 11.5 mtm -60.06 -32.35 70.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.919 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -75.68 -45.72 35.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -65.03 -34.83 79.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 75.21 110.91 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.8 p -58.99 -52.27 66.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 72.43 110.842 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 65.1 m -52.47 -43.64 65.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 73.02 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -51.93 -49.06 63.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 75.45 110.895 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 50.4 mt -73.57 -38.39 65.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.02 110.911 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -57.02 -51.77 67.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.938 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -66.48 -36.22 82.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.91 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -54.97 -49.54 71.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.922 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -74.43 -36.11 63.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 75.33 110.893 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -57.18 -50.72 71.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 75.43 110.926 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.75 -39.24 65.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 70.12 110.913 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 10.0 mtm -75.2 -35.12 61.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.876 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 65.35 110.89 -179.931 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.925 0.393 . . . . 65.44 110.872 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -36.34 60.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 74.41 110.854 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.25 -45.54 55.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.42 110.878 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 14.8 t -61.32 -39.54 90.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.852 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -75.36 -34.13 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 71.24 110.899 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.8 -48.28 55.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 64.05 110.923 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -26.19 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.897 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -76.87 -37.4 55.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 73.31 110.849 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 43.3 mt -62.87 -41.01 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.43 111.139 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -70.79 -40.86 72.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.874 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.24 -44.21 76.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.12 111.095 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -55.35 -50.2 70.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 74.45 110.895 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.4 mt -57.68 -35.37 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 73.45 111.093 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -46.99 83.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.841 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -75.73 -30.82 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 75.2 110.908 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 7.3 p -77.81 -3.16 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.875 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 53.8 mt -121.35 25.9 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 70.21 110.904 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 170.89 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.861 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.9 tp -84.69 -40.86 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.33 111.116 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -92.46 -32.38 14.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 71.24 110.852 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -109.66 36.2 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 75.13 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 16.9 tp -53.5 107.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.916 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -123.29 69.37 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.843 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 7.4 m -52.02 -30.49 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 64.02 111.122 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -52.25 -42.19 63.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -35.52 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 72.11 110.868 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 43.1 t -53.63 -38.03 63.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.04 110.86 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.0 mt -73.11 -49.23 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 73.42 111.117 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.9 -35.49 45.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.64 -53.79 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 73.15 111.089 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 70.9 mt -52.21 -42.96 63.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.931 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.19 -35.83 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.848 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -45.66 89.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 71.12 110.883 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.88 -52.14 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.878 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -54.96 -33.23 62.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 71.22 111.084 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -28.75 64.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 63.33 110.807 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 41.3 mt -91.05 95.17 9.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 75.1 110.9 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -70.7 76.28 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.891 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.5 p -78.49 142.41 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 70.22 111.123 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.7 t -80.44 174.1 11.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 75.32 111.127 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.2 ttt -63.57 -37.78 88.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.817 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -55.3 -54.58 41.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.923 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -73.85 -35.93 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.859 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.44 92.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 64.44 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -51.84 -50.5 60.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 71.43 110.912 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -52.52 -34.41 49.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 71.25 110.88 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -95.08 35.52 1.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.828 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.8 -35.34 68.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 64.12 111.142 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.88 -42.44 89.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.897 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 43.5 ttp -55.43 -48.02 75.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 75.43 110.901 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 5.8 mt -58.37 -41.93 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 73.32 111.109 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 7.4 m -54.45 -37.32 65.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 75.14 111.128 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 89.4 m -71.27 -36.87 71.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 73.13 111.133 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.83 -35.63 75.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.11 110.889 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -28.89 55.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 72.41 110.917 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -76.01 -35.2 59.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 72.14 110.887 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.463 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 41.0 pt -73.06 -1.83 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 55.54 111.119 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -33.66 44.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 71.35 110.888 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.75 -20.36 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.849 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.463 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.7 OUTLIER -42.59 113.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 74.51 110.868 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -175.52 133.75 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.888 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.0 m -51.69 146.24 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.129 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.6 t -88.29 157.0 18.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.842 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -51.97 -35.55 46.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 73.54 110.887 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.04 -39.84 79.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 75.33 111.158 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 81.4 mt -73.14 -50.64 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.43 111.157 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.5 mtm -60.05 -32.75 71.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 75.13 110.86 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -75.23 -45.99 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.895 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -64.93 -34.29 78.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 74.54 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -59.65 -51.41 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 75.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 63.7 m -52.55 -43.55 65.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 71.42 111.154 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.0 tpt -51.6 -51.27 56.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.51 110.905 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 52.3 mt -72.02 -37.59 69.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.922 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -56.9 -52.95 63.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 75.05 110.887 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -66.79 -37.2 84.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.53 110.866 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -53.36 -49.35 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.868 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -74.74 -35.93 62.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 72.12 110.84 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -57.69 -50.51 72.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 74.04 110.905 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -39.66 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 62.42 110.87 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -75.05 -35.2 61.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.851 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 75.14 110.904 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 27.9 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.879 0.371 . . . . 71.1 110.901 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -36.76 64.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 71.15 110.907 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.37 -40.74 64.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.865 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -63.62 -37.95 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.865 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -76.34 -33.43 58.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 74.54 110.869 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 23.7 mt -75.97 -32.02 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.92 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.09 -32.48 67.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.891 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -78.28 -38.49 42.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 75.43 110.873 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 45.9 mt -65.18 -38.12 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 73.14 111.143 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -72.86 -43.37 62.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.892 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.77 78.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 73.4 111.131 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.55 -42.67 71.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 64.34 110.883 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 29.4 mt -68.22 -31.88 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.109 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -61.92 -52.32 64.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 71.35 110.927 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -71.17 -29.05 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 73.11 110.925 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 71.8 m -75.48 -26.9 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 73.51 110.857 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 35.8 mt -95.1 26.67 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 72.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.36 168.83 13.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.901 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.2 tp -84.66 -37.87 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 75.13 111.143 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -90.46 -33.74 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 72.25 110.917 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.64 36.62 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.905 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 14.9 tp -56.47 107.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 73.5 110.906 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -132.97 75.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.15 110.865 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 14.0 m -51.07 -28.89 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.115 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -51.7 -38.47 55.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.915 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -76.29 -35.55 58.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.858 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 18.0 t -53.4 -58.84 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.836 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.42 -47.07 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 72.41 111.141 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.97 -34.86 44.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.903 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.24 -52.7 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 74.24 111.117 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 2.9 mp -52.01 -34.83 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 75.53 110.902 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -58.58 -49.41 77.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.937 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.19 -50.14 74.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 72.41 110.93 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.69 -37.19 49.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 75.32 110.962 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.12 72.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.084 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 23.0 t -76.52 -35.67 58.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.847 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 82.7 mt -69.1 109.81 4.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 72.4 110.898 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -77.25 60.14 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.917 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.63 138.81 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 54.23 111.102 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -94.0 171.67 8.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 73.21 111.103 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -35.35 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.41 110.887 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.91 -59.23 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 70.25 110.893 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.24 -36.02 80.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 71.44 110.935 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.8 -47.23 86.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 74.33 111.093 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -51.69 -37.07 49.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.891 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -35.23 68.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.941 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -95.43 35.52 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.805 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.44 -35.18 38.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 63.35 111.162 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.55 -43.81 93.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 65.31 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 42.3 ttp -55.33 -47.18 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.875 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 2.9 mt -61.11 -42.3 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 72.42 111.161 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 9.4 m -54.12 -43.84 70.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 73.22 111.137 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -62.89 -45.3 93.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 72.14 111.133 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 25.0 mt -51.87 -38.43 56.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 75.13 110.914 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -76.81 -28.23 55.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 75.05 110.896 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -75.89 -35.94 59.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.14 110.895 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . . . . . . . . . 35.9 pt -72.0 -4.65 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 75.44 111.146 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -37.68 56.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 64.01 110.832 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.05 24.39 8.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.873 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -82.55 117.97 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.04 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -172.54 149.39 2.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.932 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.51 133.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 53.33 111.138 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.2 t -67.42 169.88 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.859 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.3 -34.08 67.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.954 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.2 p -53.16 -41.33 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 73.33 111.103 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 89.9 mt -73.71 -51.01 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.31 111.136 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 16.6 mtm -55.74 -33.6 64.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.03 110.854 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.16 -51.12 16.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 73.25 110.906 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -60.58 -40.1 90.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.942 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 87.2 p -55.11 -45.46 75.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 72.43 110.877 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 33.2 m -57.87 -49.2 77.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.02 111.094 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttp -51.75 -42.54 62.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.45 110.877 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 62.1 mt -74.3 -43.21 57.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.944 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -55.19 -53.86 50.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -58.49 -35.89 72.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 73.14 110.874 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -54.91 -51.1 67.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.877 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -74.23 -38.4 63.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.87 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -58.61 -44.84 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.95 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -59.94 -36.07 76.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 70.12 110.855 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 37.8 mtm -76.3 -35.17 58.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.843 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 65.35 110.873 -179.902 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.872 0.368 . . . . 65.44 110.828 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -37.33 63.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.891 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.99 -36.21 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -68.24 -38.13 81.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 73.54 110.833 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -75.56 -36.93 60.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.883 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 31.2 mt -71.71 -47.77 51.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 64.05 110.897 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -57.83 -30.48 65.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 71.44 110.957 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -76.92 -43.18 36.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 22.5 mt -61.82 -36.7 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 75.43 111.14 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -71.94 -50.51 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.826 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.16 93.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 75.12 111.072 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -54.66 -45.14 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 35.8 mt -66.2 -33.28 62.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 73.45 111.147 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -52.15 66.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.885 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -71.61 -26.87 62.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.4 m -76.14 -28.8 57.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 71.21 110.849 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 39.3 mt -94.58 26.53 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 70.21 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.77 169.77 9.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.892 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 4.5 tp -84.8 -39.12 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.33 111.138 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -90.3 -33.35 16.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.842 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -107.91 36.76 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 12.5 tp -56.68 107.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 74.24 110.9 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -135.16 78.74 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.857 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 4.9 m -52.84 -27.79 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 64.02 111.13 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.69 -38.69 56.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 75.41 110.87 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -76.1 -35.56 59.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.832 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 14.1 t -53.46 -59.16 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 73.04 110.886 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.34 -46.1 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.42 111.147 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.81 -35.86 45.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 75.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.83 -50.8 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 73.15 111.142 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 2.9 mp -52.24 -35.47 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.913 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.78 -48.99 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.863 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -59.08 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.861 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.05 -39.66 59.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.927 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.32 77.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 71.22 111.118 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 23.0 t -76.05 -35.78 59.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 63.33 110.821 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.59 110.19 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 75.1 110.889 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -77.65 60.02 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.931 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.39 138.89 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 70.22 111.115 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -93.64 171.97 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 75.32 111.105 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -35.69 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 75.31 110.863 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.45 -59.06 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.923 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.34 -36.29 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.47 -46.46 88.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 64.44 111.092 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -51.97 -35.81 47.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 71.43 110.925 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -35.84 65.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.25 110.905 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -96.05 35.59 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.828 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -35.5 59.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 64.12 111.133 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.94 -39.67 82.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 75.43 110.859 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 43.0 ttp -58.51 -47.08 85.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.871 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 3.1 mt -62.92 -40.01 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.32 111.166 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 9.1 m -54.36 -40.34 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 75.14 111.153 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.7 m -68.11 -42.69 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 73.13 111.124 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 45.8 mt -51.15 -39.84 57.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 75.11 110.877 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -76.02 -28.52 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 72.41 110.869 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -74.81 -36.04 62.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 72.14 110.894 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.417 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 34.1 pt -73.51 -2.49 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 55.54 111.138 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -38.73 31.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.35 110.885 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.39 26.04 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.858 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.417 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.0 OUTLIER -87.47 122.26 30.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.861 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -175.1 154.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.877 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 17.0 m -82.6 133.27 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 73.41 111.145 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 38.8 t -66.28 169.43 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 72.24 110.868 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.17 -33.95 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 73.54 110.952 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.5 p -53.66 -41.65 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 75.33 111.093 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 86.9 mt -70.73 -51.4 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.088 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.1 mtm -58.26 -32.05 68.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.859 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.14 -53.47 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.903 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -58.82 -38.71 79.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.883 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.3 p -55.35 -51.27 67.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 28.7 m -53.81 -48.55 69.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 71.42 111.149 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttp -51.11 -42.8 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.51 110.854 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 61.9 mt -74.46 -46.67 38.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.905 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -52.52 -53.9 39.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.05 110.925 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -58.03 -37.73 74.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 72.53 110.878 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -54.34 -51.67 64.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.93 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -75.16 -36.06 61.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.865 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -59.31 -43.46 92.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 74.04 110.856 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -61.79 -35.01 76.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 62.42 110.902 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.1 mtm -76.09 -35.08 59.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.875 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.888 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.894 0.378 . . . . 71.1 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.5 tpt -54.55 -36.89 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 71.15 110.931 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.25 -41.36 63.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.855 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 72.6 m -63.32 -37.96 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.875 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -76.49 -33.74 58.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.829 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 15.6 mt -75.34 -33.32 61.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.916 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -33.05 70.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.91 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -78.87 -37.68 39.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 75.43 110.847 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 45.6 mt -64.32 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.14 111.095 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -72.16 -39.75 68.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.916 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.7 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.4 111.072 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.94 -38.61 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 64.34 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 53.2 mt -68.58 -34.4 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.166 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -60.7 -44.48 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 71.35 110.931 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -75.62 -31.3 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.927 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 23.1 p -81.32 -1.03 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 73.51 110.858 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 26.5 mt -121.29 26.32 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 72.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -72.45 170.08 15.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 73.13 110.883 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.3 tp -84.0 -37.66 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 75.13 111.118 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.56 -29.97 15.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.882 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -112.44 36.26 3.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 74.44 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 20.8 tp -53.36 107.3 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.5 110.954 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -127.81 69.89 1.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.15 110.819 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 6.1 m -51.64 -30.0 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 73.32 111.151 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -52.16 -40.78 61.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 71.21 110.867 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -75.8 -33.65 60.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.87 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 48.6 t -53.13 -51.02 63.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.907 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -61.71 -46.76 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 72.41 111.185 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -52.02 -34.71 44.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.841 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.76 -54.25 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.24 111.089 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.9 mt -52.57 -36.99 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 75.53 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.63 -49.04 77.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.877 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.54 -41.01 98.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 72.41 110.888 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -54.67 -37.33 65.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.899 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.74 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.42 111.137 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -36.85 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.843 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 49.1 mt -64.94 111.93 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 72.4 110.919 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.81 76.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.925 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -88.27 144.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 54.23 111.126 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -101.72 173.85 6.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 73.21 111.192 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -38.3 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -51.93 -59.27 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 70.25 110.865 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -67.58 -35.98 80.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.873 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.4 78.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.08 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.8 -36.01 46.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.926 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -72.45 -34.75 67.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 75.54 110.874 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -95.39 35.67 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.85 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -35.32 51.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 63.35 111.147 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -60.85 -48.21 82.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 65.31 110.89 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 47.5 ttp -55.37 -39.99 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.902 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 4.6 mt -70.05 -37.96 73.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.122 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 11.6 m -62.61 -43.09 99.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.162 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 87.2 m -62.2 -34.72 76.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 72.14 111.143 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 43.4 mt -58.16 -36.61 73.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 75.13 110.921 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -75.97 -28.97 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 75.05 110.893 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -74.61 -35.35 62.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.876 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.421 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 34.7 pt -74.61 -1.24 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -32.29 29.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.862 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -20.24 7.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.845 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.421 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -41.28 121.34 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 75.04 110.868 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.6 130.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 74.21 110.905 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 7.7 m -61.2 131.34 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 53.33 111.135 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 34.9 t -66.65 166.3 13.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.858 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.23 -36.54 83.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.949 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.5 p -54.04 -39.86 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 73.33 111.114 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 93.3 mt -69.24 -47.25 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.31 111.112 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.9 mtm -64.4 -32.77 74.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 74.03 110.886 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -53.75 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.897 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -60.69 -39.33 88.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.909 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 55.8 p -54.95 -48.88 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.853 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 31.3 m -56.02 -49.48 73.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 73.02 111.185 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.4 ttp -50.58 -44.26 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 75.45 110.888 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 59.3 mt -74.32 -39.39 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 74.02 110.914 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -60.07 -60.26 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.959 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -58.94 -35.06 72.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.915 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -54.85 -53.71 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.863 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -69.68 -37.91 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.924 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -55.54 -44.51 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 75.43 110.86 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -56.3 -35.22 67.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 70.12 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 19.5 mtm -75.42 -34.98 61.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.841 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 65.35 110.844 -179.936 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.887 0.375 . . . . 65.44 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.6 tpt -53.52 -36.79 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.862 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -73.43 -40.49 64.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.863 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 72.5 m -64.05 -37.52 87.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.54 110.904 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -76.74 -33.94 58.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 71.24 110.844 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.4 -34.76 61.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 64.05 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.68 -33.56 72.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 71.44 110.902 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -78.44 -37.4 43.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.849 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 48.5 mt -65.74 -39.82 85.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 75.43 111.165 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -71.85 -39.63 69.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.894 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.37 78.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 75.12 111.096 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.19 -38.92 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.45 110.864 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.76 -34.62 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 73.45 111.167 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -61.6 -43.46 98.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.869 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -75.72 -32.13 59.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.2 110.89 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 30.6 p -81.37 -0.82 42.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 71.21 110.871 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 26.2 mt -120.58 26.16 9.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 70.21 110.868 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.69 170.45 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 75.01 110.922 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.32 -38.32 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.11 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -92.59 -31.63 15.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.846 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -111.0 36.33 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 75.13 110.88 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.0 tp -53.42 107.37 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.949 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -127.1 70.3 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.87 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 15.7 m -51.84 -30.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 64.02 111.103 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -52.06 -40.61 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.921 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -75.76 -34.17 60.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 72.11 110.878 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 48.4 t -53.15 -50.94 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 73.04 110.895 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -61.22 -45.84 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.42 111.077 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -51.92 -35.93 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.56 -52.74 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.15 111.087 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 14.5 mt -52.22 -35.49 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.923 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.2 -49.17 78.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.849 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -45.09 95.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.89 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -52.44 -36.42 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.938 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.74 -34.59 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 71.22 111.101 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.03 -36.24 64.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 63.33 110.835 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.84 112.93 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 75.1 110.931 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -75.11 75.54 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.915 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.7 p -87.61 144.15 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 70.22 111.171 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -101.7 173.79 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.32 111.173 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -38.39 80.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 75.31 110.888 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -51.95 -59.2 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -67.2 -36.1 81.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.87 76.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 64.44 111.069 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.91 -35.98 47.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 71.43 110.902 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -71.78 -34.96 69.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 71.25 110.877 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -94.97 35.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 74.34 110.858 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -35.45 40.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 64.12 111.143 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.07 -49.01 79.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.901 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 47.0 ttp -55.39 -40.66 71.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.863 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.72 -40.79 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 73.32 111.159 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 12.4 m -62.24 -44.47 96.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.155 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.4 m -59.5 -37.19 77.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 73.13 111.15 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 23.1 mt -58.53 -35.71 72.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.927 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -76.7 -28.75 55.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.883 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -74.91 -33.99 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.88 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.477 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 33.5 pt -75.38 -1.73 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 55.54 111.093 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -34.65 54.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.35 110.856 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.66 -14.19 8.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.855 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.477 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 5.6 t80 -45.19 113.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.51 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.69 133.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.931 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.5 p -59.54 135.49 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 73.41 111.127 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 36.5 t -72.58 170.68 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.846 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -71.02 -34.79 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 73.54 110.897 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.42 -41.9 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 75.33 111.106 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 47.6 mt -73.18 -49.87 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.089 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.1 mtm -55.86 -31.92 63.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.86 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.2 -53.4 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -59.3 -39.68 83.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.941 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 97.2 p -56.37 -43.54 79.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 75.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 12.8 m -58.79 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 71.42 111.137 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.4 ttp -49.15 -41.89 37.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 75.51 110.879 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 60.4 mt -75.33 -34.74 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 73.32 110.926 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -61.46 -62.69 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.05 110.941 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -59.97 -32.17 70.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.889 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -53.09 -48.78 67.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 72.32 110.912 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -75.47 -40.92 56.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 72.12 110.907 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -53.37 -47.7 69.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.04 110.921 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -52.01 -35.74 47.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 62.42 110.936 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 19.6 mtm -76.28 -35.38 58.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 74.43 110.886 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.854 -179.918 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.868 0.366 . . . . 71.1 110.865 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.59 -41.07 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.15 110.88 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.76 -35.63 65.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 75.24 110.883 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 36.7 t -71.31 -38.68 71.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 64.41 110.833 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -74.7 -33.99 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 74.54 110.867 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.21 -47.51 56.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.976 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.49 -27.93 58.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.883 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -74.49 -35.93 63.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.895 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.46 -42.82 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 73.14 111.109 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -71.93 -38.14 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.86 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.85 -44.69 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.4 111.078 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -55.05 -54.29 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 64.34 110.882 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 56.0 mt -55.77 -34.75 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.32 111.14 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -58.76 -49.23 78.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 71.35 110.886 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -74.85 -29.42 61.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.894 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 3.7 p -79.95 -1.08 37.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.832 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 36.7 mt -121.14 26.06 9.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 72.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 169.96 13.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 73.13 110.944 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.1 tp -84.62 -40.64 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 75.13 111.105 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -90.7 -32.74 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.864 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.2 36.56 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.9 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.5 tp -53.06 107.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 73.5 110.94 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -125.33 70.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 74.15 110.813 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 6.2 m -55.48 -29.94 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 73.32 111.139 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -52.06 -37.59 54.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.928 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -33.18 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.846 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 30.1 t -53.32 -55.37 25.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.905 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.29 -46.21 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 72.41 111.133 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.2 -34.68 64.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 74.11 110.947 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -73.77 -52.21 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.121 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 18.8 mt -52.03 -36.01 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 75.53 110.928 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.84 -49.18 78.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.868 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -58.9 -51.01 71.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 72.41 110.866 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.67 -46.74 63.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.88 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.28 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.42 111.118 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -76.52 -35.61 58.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.852 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.77 117.16 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 72.4 110.935 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -84.11 54.82 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.43 110.932 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.06 137.79 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 54.23 111.165 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -95.3 172.58 8.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.134 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 13.4 tpt -52.69 -37.87 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.913 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -52.25 -59.18 4.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 70.25 110.922 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -36.08 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.923 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.36 -51.19 67.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 74.33 111.135 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -52.89 -42.41 65.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.933 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -65.07 -35.64 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.54 110.911 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -95.31 35.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.834 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.27 -40.8 74.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 63.35 111.144 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.46 -38.02 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 65.31 110.872 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -64.75 -44.31 90.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.877 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.9 mt -63.25 -35.27 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 72.42 111.142 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 55.2 m -63.31 -47.94 80.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 73.22 111.168 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -56.06 -37.0 68.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 72.14 111.14 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.42 -35.01 69.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.88 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -28.86 54.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 75.05 110.883 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -75.88 -33.98 59.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.871 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.471 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 39.3 pt -74.37 -1.68 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 75.44 111.136 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -79.62 -34.19 40.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 64.01 110.854 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.59 -19.29 8.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.871 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.471 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.8 OUTLIER -41.34 114.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 75.04 110.868 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -177.53 133.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 74.21 110.883 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 2.8 m -56.98 142.5 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 53.33 111.129 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.91 166.15 23.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.866 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -35.3 78.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.893 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 23.4 t -56.1 -50.32 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.33 111.157 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 84.2 mt -60.79 -53.09 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.125 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 31.7 mtm -56.76 -32.5 65.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 74.03 110.868 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -74.47 -53.49 9.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 73.25 110.913 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -58.86 -40.02 83.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.923 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 91.4 p -55.05 -48.52 73.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 52.2 m -53.94 -50.61 66.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 73.02 111.184 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -48.93 -50.32 35.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 75.45 110.876 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 9.2 mp -69.35 -34.77 75.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 74.02 110.912 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -59.23 -62.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.895 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -62.28 -30.79 71.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 73.14 110.876 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -53.95 -51.09 64.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.891 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -75.63 -35.65 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 75.33 110.874 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.88 -44.29 63.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 75.43 110.862 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -60.23 -35.73 76.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 70.12 110.861 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 5.8 mtm -77.7 -34.67 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.836 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 65.35 110.873 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.843 0.354 . . . . 65.44 110.825 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.5 tpt -60.81 -40.89 94.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.41 110.854 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -73.43 -36.15 65.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.847 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 36.5 t -70.59 -39.5 73.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 73.54 110.843 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -74.28 -34.11 63.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 71.24 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.1 -47.85 55.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 64.05 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -57.32 -28.56 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 71.44 110.925 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -71.73 -38.35 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.842 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.13 -40.12 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.43 111.108 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -71.34 -38.52 71.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.904 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.02 -43.0 65.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.12 111.13 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -55.3 -54.15 47.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.914 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 56.1 mt -55.22 -35.29 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.45 111.131 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -59.78 -46.11 90.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.844 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -75.94 -29.61 58.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.886 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -81.19 -0.84 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 71.21 110.89 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 40.1 mt -121.45 26.49 8.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 70.21 110.904 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 171.66 10.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.841 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.43 -42.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.153 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -90.81 -32.32 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.852 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.11 36.18 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 75.13 110.879 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.6 107.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 74.24 110.904 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -126.84 70.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.837 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 6.3 m -56.11 -29.51 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 64.02 111.146 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -52.09 -38.05 56.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.84 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -32.81 60.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.876 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.1 t -53.09 -55.03 27.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.875 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.61 -44.95 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.42 111.113 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.79 -35.54 63.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 75.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -73.6 -50.82 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 73.15 111.067 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.29 -36.05 51.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 73.21 110.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.75 -49.17 78.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.825 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.03 -50.79 72.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 71.12 110.913 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.13 -49.8 62.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.928 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.84 -34.56 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.22 111.085 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -76.53 -35.5 58.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 63.33 110.832 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.47 117.1 6.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 75.1 110.925 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -84.5 54.7 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.894 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 5.9 p -66.97 138.12 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 70.22 111.122 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -95.21 172.76 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 75.32 111.148 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 13.5 tpt -53.14 -37.6 61.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.858 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -52.44 -59.05 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.893 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -36.48 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.91 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -54.97 -50.96 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 64.44 111.045 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -53.1 -41.19 64.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.923 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -65.68 -35.78 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 71.25 110.956 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -95.41 35.56 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.879 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -41.86 72.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 64.12 111.118 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.49 -36.14 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 75.43 110.837 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -65.43 -45.54 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.43 110.895 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 3.5 mt -62.44 -35.18 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 73.32 111.141 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 53.3 m -63.66 -47.52 80.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 75.14 111.175 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.4 m -56.58 -35.01 67.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 73.13 111.184 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 26.3 mt -59.99 -35.77 75.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.929 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -28.84 56.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 72.41 110.894 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -74.98 -35.33 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.876 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.504 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 33.6 pt -73.84 -1.6 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 55.54 111.123 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.08 -34.9 50.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.875 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.75 -16.93 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.862 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.504 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 1.2 t80 -43.54 116.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.896 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -179.26 139.36 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 74.41 110.965 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.9 m -59.17 146.86 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 73.41 111.118 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.1 165.85 20.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 72.24 110.823 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.34 -35.91 78.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 73.54 110.876 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.82 -50.69 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.33 111.098 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.02 -51.11 76.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 74.43 111.172 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 31.9 mtm -57.17 -33.77 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.898 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -53.52 9.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.877 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -56.93 -40.07 75.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 74.54 110.869 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.0 p -54.72 -52.21 63.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 75.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.9 m -52.51 -44.27 65.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 71.42 111.177 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -51.95 -52.5 49.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 75.51 110.892 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.71 -37.88 76.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 73.32 110.895 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -57.94 -56.07 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 75.05 110.946 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -65.43 -34.51 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.836 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -54.4 -53.81 49.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 72.32 110.903 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -69.85 -35.97 75.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.923 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -52.05 -44.13 64.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 74.04 110.87 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.03 -35.78 77.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 62.42 110.932 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 5.9 mtm -77.24 -33.97 55.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 74.43 110.879 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.831 -179.9 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.851 0.358 . . . . 71.1 110.831 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.1 tpt -54.57 -43.67 72.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 71.15 110.89 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.51 -35.86 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.849 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.9 t -63.8 -40.75 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 64.41 110.892 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -33.29 62.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 74.54 110.867 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.87 -47.44 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.917 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -57.69 -27.94 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.869 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.95 -37.3 55.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.854 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 20.9 mt -65.12 -40.08 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.14 111.125 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -71.96 -40.47 68.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.891 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.52 72.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 73.4 111.096 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.07 -51.14 67.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 64.34 110.856 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 50.1 mt -57.71 -34.89 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.32 111.126 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -61.12 -45.28 95.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 71.35 110.919 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -75.64 -28.0 58.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.871 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.1 p -84.61 -1.23 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 73.51 110.872 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 28.0 mt -121.69 26.26 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 72.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 170.87 12.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.13 110.938 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.2 tp -84.69 -38.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 75.13 111.155 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -93.0 -30.71 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.853 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -111.86 36.26 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.86 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 20.4 tp -53.67 107.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 73.5 110.866 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -127.11 70.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 74.15 110.9 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 5.5 m -53.12 -28.17 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 73.32 111.161 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -51.75 -41.01 61.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 71.21 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -75.8 -32.26 59.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.905 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 20.5 t -52.97 -60.34 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.911 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.4 mt -53.44 -44.74 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 72.41 111.157 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.21 -35.38 62.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.886 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.03 -51.17 12.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.037 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 2.2 mt -51.94 -35.69 46.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 75.53 110.922 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.53 -49.22 76.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.849 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.0 -45.85 86.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.912 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -52.37 -47.63 66.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.32 110.904 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.89 -35.09 74.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.07 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -72.33 -35.95 68.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.863 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.78 108.26 3.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 72.4 110.891 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -77.72 59.83 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.924 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.62 137.42 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 54.23 111.119 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -91.91 173.01 8.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 73.21 111.113 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -38.44 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.877 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -54.37 -58.94 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 70.25 110.909 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.34 -35.63 78.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.956 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.43 89.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.119 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -51.69 -36.13 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 75.25 110.938 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -72.07 -35.02 69.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 75.54 110.925 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -95.29 35.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.841 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -35.56 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.35 111.11 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.3 -40.79 91.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 65.31 110.915 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 27.5 ttp -55.54 -43.6 75.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 74.31 110.91 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.0 mt -66.16 -39.19 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 72.42 111.111 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 20.8 m -54.03 -35.37 61.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 73.22 111.153 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.4 m -74.32 -40.62 62.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 72.14 111.15 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 72.6 mt -51.46 -39.02 56.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.927 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -76.14 -29.29 57.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.05 110.881 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -74.67 -34.87 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.907 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.416 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 38.2 pt -74.93 -1.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.44 111.104 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -32.16 27.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 64.01 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.33 -20.63 8.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.44 110.9 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.416 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -41.24 120.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.853 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.54 135.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.941 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.13 131.98 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 53.33 111.13 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 1.8 m -64.38 166.14 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.819 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -64.48 -33.3 75.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.896 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.97 -39.16 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 73.33 111.112 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.12 -51.63 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.31 111.126 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 23.0 ptp -66.09 -30.9 71.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 74.03 110.869 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.9 -50.52 48.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 73.25 110.872 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -65.4 -38.13 89.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.847 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.8 p -54.99 -48.79 72.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 72.43 110.858 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 38.6 m -55.12 -48.28 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.02 111.16 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 2.2 ttp -51.82 -47.06 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.85 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.22 -43.68 70.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.886 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -52.15 -48.86 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.933 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.23 -35.55 80.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 73.14 110.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -53.33 -53.86 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.886 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -75.63 -36.12 60.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 75.33 110.89 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -56.81 -40.51 76.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 75.43 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.53 -35.19 80.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 70.12 110.876 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 34.7 mtm -74.88 -35.28 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.872 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 65.35 110.889 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.905 0.383 . . . . 65.44 110.82 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.1 tpt -53.09 -43.69 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.92 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.07 -36.7 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.83 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.9 t -62.53 -41.42 98.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 73.54 110.835 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.51 -33.68 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 71.24 110.885 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 14.3 mt -71.35 -47.74 54.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 64.05 110.922 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -58.12 -29.26 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.907 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.18 -37.51 61.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.839 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 14.2 mt -65.16 -39.29 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.43 111.095 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -71.64 -39.53 70.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.875 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.48 -42.25 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 75.12 111.137 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -55.21 -50.67 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 74.45 110.921 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 50.6 mt -57.55 -34.94 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 73.45 111.14 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -59.07 -51.34 70.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.875 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -70.63 -30.84 67.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 75.2 110.852 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.7 p -80.04 -2.4 44.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.889 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 27.8 mt -121.68 26.17 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 70.21 110.92 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -71.72 169.96 14.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.01 110.867 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 6.0 tp -84.11 -38.64 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.111 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -93.31 -30.82 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.842 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -112.01 36.31 3.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.865 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.6 tp -53.48 107.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -125.85 68.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.86 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 17.6 m -51.66 -29.85 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 64.02 111.131 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -52.05 -40.4 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.904 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -75.78 -32.48 59.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.891 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 22.4 t -52.98 -59.21 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.875 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.5 mt -53.6 -44.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 73.42 111.169 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.99 -36.45 60.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.93 -48.34 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.15 111.122 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 2.1 mt -52.2 -35.35 48.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.88 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.87 -49.05 69.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.868 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.22 -46.21 79.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 71.12 110.911 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.47 -52.15 55.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.31 110.914 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.25 66.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 71.22 111.121 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -72.53 -36.81 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 63.33 110.847 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.8 mt -70.06 108.27 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.9 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -77.63 60.03 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 73.33 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.1 p -69.23 137.14 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 70.22 111.129 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -90.46 173.31 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.32 111.146 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -38.63 74.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.31 110.88 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -53.64 -58.02 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.935 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -69.32 -36.27 76.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.23 110.882 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.1 88.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 64.44 111.079 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -52.49 -36.17 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 71.43 110.888 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -71.08 -35.55 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 71.25 110.894 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -95.26 35.57 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.843 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.37 -35.53 67.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 64.12 111.116 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.06 -40.85 86.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.917 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 20.2 ttp -55.37 -47.64 75.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.85 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 2.8 mp -60.59 -41.18 86.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 73.32 111.125 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 23.9 m -54.08 -35.66 62.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 75.14 111.103 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.7 m -73.22 -43.11 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 73.13 111.154 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 46.4 mt -51.7 -38.26 54.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.935 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -76.77 -28.96 55.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.882 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -74.95 -33.98 62.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.904 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.465 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 35.9 pt -75.29 -2.17 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 55.54 111.09 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -34.23 55.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 71.35 110.89 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.53 -15.03 9.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 73.43 110.878 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.465 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 10.9 t80 -45.11 108.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.51 110.867 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.99 136.05 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.857 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.7 p -58.32 135.22 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.13 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 1.7 m -65.56 175.42 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 72.24 110.872 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -78.79 -33.0 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.54 110.932 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.24 -37.47 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 75.33 111.12 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 90.5 mt -65.97 -49.84 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.164 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.0 ptp -63.51 -33.15 74.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.13 110.859 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -50.5 48.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.869 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -62.89 -39.74 95.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 74.54 110.94 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 54.0 p -54.78 -45.94 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 75.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 36.6 m -57.83 -46.26 84.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 71.42 111.127 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 2.2 ttp -54.41 -44.23 72.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.942 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 28.9 mt -73.14 -41.36 64.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 73.32 110.921 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -53.61 -49.37 67.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.917 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -65.46 -34.77 79.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.851 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -53.18 -53.3 52.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.888 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -74.41 -39.8 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 72.12 110.889 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -54.68 -41.92 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.883 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -64.04 -35.98 82.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 62.42 110.89 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 34.4 mtm -75.57 -35.12 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.887 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.874 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.866 0.365 . . . . 71.1 110.817 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -35.66 60.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 71.15 110.928 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -73.68 -45.54 51.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 75.24 110.891 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.23 -38.91 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.829 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -74.91 -33.96 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 74.54 110.876 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.25 -47.46 57.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.95 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -56.37 -28.7 59.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.901 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -76.91 -38.13 54.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.873 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 24.2 mt -64.15 -38.59 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.117 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -71.89 -39.22 69.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.841 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.87 -42.17 67.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 73.4 111.087 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -54.91 -38.27 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 64.34 110.921 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 38.2 mt -74.41 -33.87 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 73.32 111.117 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -61.8 -52.43 64.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 71.35 110.894 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -71.45 -29.63 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 73.11 110.928 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 15.7 m -74.75 -26.73 59.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.887 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 32.0 mt -94.43 26.55 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 72.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.13 170.1 7.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.883 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.7 tp -84.65 -40.96 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.13 111.123 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -91.7 -32.6 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.875 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -105.08 36.63 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.3 tp -55.83 106.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.5 110.95 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.29 71.64 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.15 110.84 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 17.4 m -51.87 -28.01 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.098 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -51.11 -40.46 58.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.909 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -76.42 -33.31 58.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.858 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 7.4 t -53.23 -59.39 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.09 -48.27 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.128 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -51.55 -35.6 41.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.857 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.96 -53.17 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.082 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.91 -45.05 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 75.53 110.929 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.92 -37.37 79.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.899 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -65.32 -47.45 76.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.847 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -54.0 35.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 75.32 110.896 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.08 -21.43 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 74.42 111.074 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -98.96 26.71 5.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.828 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 36.6 mt -109.96 -30.02 7.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 72.4 110.906 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 50.84 42.79 28.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.922 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.92 145.03 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 54.23 111.111 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -87.58 175.46 7.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.128 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 1.8 ttt -62.64 -38.85 91.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.861 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.67 -54.5 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 70.25 110.919 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.2 -35.4 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 71.44 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.49 88.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.115 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -51.83 -44.53 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 75.25 110.955 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -35.31 80.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.49 35.56 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.868 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.61 -36.27 73.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 63.35 111.146 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.47 -41.4 98.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.896 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 3.1 tmm? -57.1 -37.56 72.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.907 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.04 -38.32 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 72.42 111.163 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 91.9 m -58.09 -40.33 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 73.22 111.118 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.1 m -65.36 -36.16 83.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 72.14 111.136 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 48.9 mt -57.6 -37.27 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 75.13 110.881 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -75.49 -29.03 59.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.925 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -74.34 -35.89 63.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.957 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.447 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 33.8 pt -74.21 -1.53 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.44 111.128 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -33.12 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 64.01 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -20.25 7.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.869 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.447 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.8 120.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 75.04 110.916 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -175.53 141.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.885 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.1 136.49 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 53.33 111.138 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 7.7 t -67.66 179.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.856 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -79.75 -38.94 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 74.23 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.7 p -60.0 -39.53 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 73.33 111.112 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 92.7 mt -64.48 -54.15 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.177 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 16.7 ptp -62.26 -32.45 73.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.03 110.835 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.38 -36.04 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.896 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -76.57 -36.06 57.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 75.21 110.93 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.1 p -56.38 -47.74 78.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.85 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 97.2 m -53.93 -46.12 71.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 73.02 111.102 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.9 tpt -50.8 -48.92 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 75.45 110.869 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 25.2 mt -73.53 -35.61 65.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.911 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -60.88 -58.43 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.869 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.5 -34.67 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.92 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -53.87 -53.26 55.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.876 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -70.12 -41.93 73.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.925 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -51.98 -45.17 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -55.6 -35.44 65.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 70.12 110.875 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 28.3 mtm -75.42 -34.56 61.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.898 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 65.35 110.872 -179.9 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.882 0.372 . . . . 65.44 110.845 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.13 -35.88 60.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.89 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -73.25 -44.96 58.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 75.42 110.877 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -39.47 89.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 73.54 110.836 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.85 -34.29 62.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 71.24 110.879 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 11.4 mt -71.19 -48.1 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 64.05 110.929 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -55.09 -28.61 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 71.44 110.913 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -76.43 -35.57 58.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 73.31 110.865 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 52.0 mt -63.5 -40.92 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 75.43 111.119 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -71.79 -42.51 67.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.845 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.21 80.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 75.12 111.091 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.54 -38.05 66.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.45 110.885 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 32.5 mt -75.22 -30.31 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 73.45 111.141 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -63.41 -52.8 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.901 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -72.44 -28.55 63.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 75.2 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.0 m -74.75 -26.98 60.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 42.1 mt -94.88 26.5 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 70.21 110.886 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.36 169.19 9.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 75.01 110.876 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.7 tp -84.67 -40.52 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 74.33 111.138 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.84 -33.21 15.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 71.24 110.856 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -106.05 36.57 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 75.13 110.893 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 15.8 tp -55.68 106.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.953 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.67 71.92 1.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 74.12 110.873 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 16.2 m -52.22 -27.95 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 64.02 111.08 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -51.16 -41.02 59.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.869 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -76.3 -32.82 58.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 72.11 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 6.1 t -53.21 -59.05 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.04 110.824 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.43 -45.35 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.42 111.136 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -53.44 -36.62 61.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 75.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.82 -51.5 11.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.15 111.104 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 3.1 mt -52.07 -42.63 63.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 73.21 110.94 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.61 -35.01 79.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 74.33 110.891 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.19 -50.33 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.886 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 6.3 tp -56.28 -48.11 77.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.31 110.949 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -54.54 -25.68 27.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 71.22 111.104 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -79.57 -29.95 41.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 63.33 110.884 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.38 101.78 13.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 75.1 110.905 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -73.42 68.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.892 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.93 136.53 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 70.22 111.111 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -83.64 173.32 11.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.32 111.131 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 1.9 ttt -59.8 -38.97 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.882 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -52.53 -54.32 34.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.901 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -74.21 -36.03 63.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.884 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.39 88.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 64.44 111.05 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -51.79 -42.66 62.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 71.43 110.915 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -35.51 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 71.25 110.922 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -95.19 35.61 1.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.862 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -35.43 66.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 64.12 111.167 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.79 -42.43 95.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 75.43 110.885 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -55.33 -38.25 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.867 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 4.1 mt -67.55 -42.79 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.32 111.139 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 92.1 m -55.52 -45.42 77.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.14 111.153 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.7 m -58.42 -41.8 85.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 73.13 111.164 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.95 -35.57 66.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.931 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -76.32 -28.77 57.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.837 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -75.37 -35.41 61.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.458 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 35.8 pt -73.6 -1.66 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 55.54 111.112 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -33.62 42.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 71.35 110.861 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.8 -20.04 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.458 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.2 OUTLIER -40.79 119.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.85 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -175.23 141.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.893 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.94 137.1 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 73.41 111.154 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 7.7 t -68.62 179.76 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.24 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -79.72 -38.76 32.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 73.54 110.94 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.14 -39.61 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.094 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 94.0 mt -64.49 -54.54 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.43 111.091 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.8 ptp -61.85 -31.95 72.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.905 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.59 -36.21 63.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.819 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -76.64 -37.9 55.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.852 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 90.6 p -55.16 -44.58 75.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 75.0 110.844 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.1 m -56.41 -47.44 79.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 71.42 111.104 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -49.11 -47.57 45.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 75.51 110.852 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 45.6 mt -75.55 -34.63 60.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 73.32 110.875 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.07 -63.95 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.913 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -63.04 -32.6 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.877 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -53.02 -47.97 67.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.898 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -75.59 -43.1 49.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.12 110.836 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -53.46 -46.76 70.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.904 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.84 -35.72 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 62.42 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 27.4 mtm -77.34 -35.05 55.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.903 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.14 110.928 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.901 0.381 . . . . 71.1 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -38.15 63.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 71.15 110.883 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.45 -34.66 65.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 75.24 110.916 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 11.1 m -68.36 -38.74 81.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 64.41 110.835 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -33.65 62.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.871 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.19 -47.46 57.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.882 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -57.76 -29.38 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.897 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -76.69 -45.2 30.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.908 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 17.7 mt -57.53 -42.32 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.152 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -71.84 -39.48 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.846 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.87 -48.68 73.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 73.4 111.063 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.06 -38.79 68.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 64.34 110.918 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 41.3 mt -64.34 -36.52 77.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.142 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -51.99 65.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 71.35 110.894 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -71.62 -31.25 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.85 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 67.1 m -79.42 -1.33 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.858 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 29.5 mt -121.3 26.55 8.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 72.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -73.9 167.84 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 73.13 110.892 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.2 tp -83.4 -37.4 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 75.13 111.088 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -89.34 -30.87 18.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.879 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -116.46 37.13 3.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.87 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 13.5 tp -52.53 108.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.892 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -124.47 59.64 1.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.843 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 2.9 m -49.63 -32.77 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 73.32 111.186 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -53.31 -35.16 59.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.836 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.74 -35.82 60.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.873 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 4.3 t -53.29 -52.19 59.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.876 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.6 mt -53.4 -35.89 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 72.41 111.118 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.07 -34.51 76.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.11 110.913 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.64 -53.71 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 74.24 111.105 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.35 -35.01 50.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 75.53 110.882 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.47 -46.23 87.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.858 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.48 -45.39 93.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.896 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -52.29 -35.82 51.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.924 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -71.29 -35.85 71.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.42 111.099 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 2.5 t -70.25 -36.32 74.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.855 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 84.0 mt -67.23 115.28 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.4 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -79.92 64.67 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.9 p -74.73 140.09 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 54.23 111.117 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -97.27 173.74 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.153 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -35.67 72.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.91 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -53.85 -59.22 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 70.25 110.944 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -69.96 -36.78 75.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.908 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.83 -51.24 69.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.33 111.068 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.54 -35.97 43.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 75.25 110.899 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.18 -34.31 68.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 75.54 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -95.09 35.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.853 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -34.61 57.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 63.35 111.156 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -44.86 82.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 65.31 110.885 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 1.2 ttm -55.16 -56.13 23.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 74.31 110.859 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.0 mp -58.59 -36.17 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 72.42 111.167 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 34.5 m -56.91 -32.23 65.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 73.22 111.156 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -81.45 -37.19 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 72.14 111.113 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 50.1 mt -51.64 -40.0 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 75.13 110.93 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -28.02 56.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 75.05 110.874 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -75.04 -34.77 61.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.14 110.922 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.418 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 31.7 pt -74.48 -3.22 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.44 111.141 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -37.8 60.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 64.01 110.848 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 25.22 8.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.895 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.418 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 1.2 t80 -84.93 120.72 26.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.04 110.864 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.5 156.47 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.893 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 5.6 p -86.91 110.5 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 53.33 111.15 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 28.5 t -46.22 154.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 74.43 110.833 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -60.61 -34.39 74.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 74.23 110.926 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.06 -40.42 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.33 111.165 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 87.2 mt -74.65 -38.66 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 74.31 111.132 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 26.4 mtm -66.04 -38.2 87.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.89 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -75.63 -34.01 60.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.892 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -71.63 -35.54 70.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.848 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.9 p -62.48 -48.57 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 72.43 110.898 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 35.1 m -52.58 -42.52 64.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 73.02 111.133 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -45.68 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.846 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 62.8 mt -74.41 -42.69 58.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 74.02 110.912 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -53.77 -52.08 61.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.919 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -62.69 -39.67 94.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 73.14 110.92 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -53.93 -52.04 61.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.91 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -73.14 -34.02 65.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.864 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -62.54 -34.69 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.903 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -48.43 81.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 70.12 110.885 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 15.2 ptp -74.83 -33.42 62.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.905 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.901 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.891 0.377 . . . . 65.44 110.854 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -37.47 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 74.41 110.851 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -35.17 65.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 75.42 110.895 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 11.7 m -68.51 -38.54 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.54 110.871 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -74.2 -34.23 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 71.24 110.904 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.05 -47.79 60.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 64.05 110.913 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -58.79 -31.02 68.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.962 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -73.78 -43.7 58.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 14.0 mt -60.48 -41.64 88.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 75.43 111.13 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -70.85 -37.34 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.835 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.94 70.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.12 111.147 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.28 -41.09 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.865 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 27.9 mt -62.89 -36.65 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 73.45 111.199 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -59.93 -51.86 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.88 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -72.45 -31.41 65.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 75.2 110.848 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.4 m -76.76 -4.64 44.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 71.21 110.881 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 50.4 mt -119.89 26.01 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 70.21 110.931 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -73.9 167.9 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.01 110.87 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 6.6 tp -83.78 -38.45 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.109 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -88.62 -31.08 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.869 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -116.15 37.04 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.902 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 12.1 tp -52.53 107.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.917 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -126.56 63.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.84 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 4.1 m -50.44 -31.02 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.02 111.139 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -52.14 -35.31 48.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.929 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -35.41 60.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 72.11 110.873 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 7.4 t -53.45 -52.89 58.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.883 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 5.3 mt -53.54 -37.31 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 73.42 111.083 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -66.22 -35.5 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.3 -54.08 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 73.15 111.071 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 21.6 mt -52.6 -36.64 56.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.29 -46.14 90.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 74.33 110.929 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.6 -46.13 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.852 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.72 -37.49 59.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 72.31 110.89 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.24 -34.61 75.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 71.22 111.076 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 2.5 t -72.38 -37.25 68.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 63.33 110.869 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.1 115.94 6.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 75.1 110.937 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -81.04 64.14 5.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.931 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -75.17 139.13 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 70.22 111.092 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -95.77 173.86 7.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 75.32 111.112 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -35.89 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.891 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -53.49 -57.64 9.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.941 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.41 -36.33 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.926 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.88 -51.07 70.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 64.44 111.111 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -35.8 45.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 71.43 110.92 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.22 70.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.919 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -95.17 35.54 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 74.34 110.887 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.98 -35.53 59.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 64.12 111.11 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -43.52 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.874 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.5 ttm -55.46 -57.17 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.939 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.6 -36.3 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.138 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.5 m -57.42 -32.21 66.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 75.14 111.15 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -81.55 -38.41 26.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.13 111.158 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 41.3 mt -51.3 -39.62 57.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 75.11 110.908 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -27.96 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.897 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -75.67 -34.62 60.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 72.14 110.943 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.423 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 34.3 pt -74.65 -1.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 55.54 111.116 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -38.23 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.92 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.5 26.37 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.848 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.423 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -84.21 120.32 26.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.833 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.38 -166.83 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.894 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 11.1 p -118.96 -11.93 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 73.41 111.109 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.0 t 71.96 132.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 72.24 110.839 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -53.63 -35.93 61.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 73.54 110.909 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -53.65 -39.36 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 75.33 111.119 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 9.7 mt -75.06 -34.36 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.43 111.111 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.0 mtm -71.32 -39.26 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.903 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -72.17 -37.04 69.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.852 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -69.76 -35.82 75.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 74.54 110.899 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -61.74 -50.16 73.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 75.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 30.5 m -52.16 -45.1 64.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 71.42 111.134 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -45.95 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 75.51 110.883 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 64.0 mt -74.63 -45.62 43.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.902 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -51.01 -54.76 21.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.909 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -58.87 -35.13 72.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.882 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -57.36 -53.7 55.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.884 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.92 -35.97 72.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 72.12 110.862 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -60.17 -35.05 74.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 74.04 110.886 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -49.03 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 62.42 110.909 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 16.6 ptp -75.11 -33.53 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.864 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 75.14 110.907 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.891 0.377 . . . . 71.1 110.859 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.12 -39.85 63.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 71.15 110.9 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.77 -37.15 65.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 75.24 110.829 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -40.14 96.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 64.41 110.837 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -76.27 -33.11 59.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.858 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.09 -35.37 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 73.52 110.927 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -33.55 74.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.902 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -79.68 -38.12 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 32.2 mt -59.95 -43.91 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.14 111.126 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -72.31 -45.39 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.845 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.53 92.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.4 111.102 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.95 -43.98 73.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 64.34 110.865 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 36.4 mt -64.48 -32.33 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 73.32 111.097 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -62.81 -52.15 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 71.35 110.864 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.92 -29.29 65.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.888 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.8 p -76.12 -26.73 56.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 73.51 110.878 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 35.9 mt -94.42 26.75 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 72.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 170.85 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 73.13 110.905 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.8 -40.19 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 75.13 111.112 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -90.55 -33.62 15.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.858 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -106.1 36.4 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.907 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.05 107.39 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 73.5 110.89 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -133.73 76.65 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.15 110.869 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 11.3 m -51.61 -29.21 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 73.32 111.097 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.81 -36.77 49.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 71.21 110.878 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -75.89 -35.25 59.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.883 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 27.9 t -58.49 -56.33 23.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.858 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 2.8 mp -53.29 -35.25 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 72.41 111.142 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.19 -36.3 82.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.873 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.26 -54.58 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.085 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 51.0 mt -55.07 -35.94 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 75.53 110.92 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.5 -36.23 83.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.835 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -50.51 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 72.41 110.853 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.75 -34.66 59.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.956 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -63.0 -27.93 69.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.42 111.103 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.97 26.22 3.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.846 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 14.1 mt -120.46 116.4 25.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 72.4 110.901 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -87.75 58.21 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.9 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.93 136.52 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 54.23 111.137 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -80.23 170.22 16.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 73.21 111.164 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -35.26 71.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.41 110.842 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -59.29 5.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 70.25 110.922 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.02 -38.87 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.917 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.22 70.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.33 111.136 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -40.68 63.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.939 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -61.18 -34.55 75.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.915 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -95.24 35.71 1.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.881 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.46 -35.21 51.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 63.35 111.142 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.27 -50.54 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 65.31 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 48.9 ttp -55.41 -37.94 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.897 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.11 -38.37 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 72.42 111.089 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 19.2 m -61.62 -44.13 97.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.22 111.178 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.2 m -62.02 -36.02 80.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 72.14 111.156 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.3 -36.32 73.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.934 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -76.0 -28.56 57.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 75.05 110.925 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -75.61 -35.72 60.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.898 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.468 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 35.7 pt -73.38 -1.49 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 75.44 111.116 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -34.18 45.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 64.01 110.849 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.12 -19.77 7.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.862 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.468 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -40.27 117.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 75.04 110.907 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -173.3 133.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.901 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.7 127.77 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 53.33 111.149 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 8.3 t -64.62 172.59 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.815 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -73.63 -31.67 63.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 74.23 110.912 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 28.9 t -53.22 -44.09 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 73.33 111.12 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 73.1 mt -74.11 -42.64 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.129 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 20.2 mtm -59.13 -43.07 91.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.905 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.2 -33.54 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -71.86 -38.26 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.866 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 70.8 p -60.14 -49.79 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 92.7 m -52.45 -34.63 49.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 73.02 111.139 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 29.2 ttp -58.83 -51.29 70.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 75.45 110.87 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.47 -35.66 63.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.02 110.957 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -59.3 -47.26 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.59 -39.46 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 73.14 110.877 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -54.94 -48.04 73.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.823 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -74.98 -36.16 62.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 75.33 110.857 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -55.88 -50.48 70.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.901 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.47 -35.61 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 70.12 110.863 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 8.5 mtm -75.53 -35.09 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 65.35 110.841 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.876 0.37 . . . . 65.44 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.27 -40.49 64.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 74.41 110.912 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.99 -32.22 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.863 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -39.62 90.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 73.54 110.888 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -77.73 -33.18 53.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 71.24 110.874 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 13.5 mt -74.46 -43.61 55.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 64.05 110.939 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -61.02 -35.45 76.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.951 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -78.15 -35.69 48.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 73.31 110.863 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 26.9 mt -64.41 -40.79 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 75.43 111.122 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -72.05 -40.42 68.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 74.23 110.828 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.91 89.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.12 111.111 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.24 -42.25 73.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 74.45 110.868 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.69 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 73.45 111.122 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -62.86 -51.91 65.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.905 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -70.56 -29.42 65.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 75.2 110.881 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 13.2 p -76.4 -27.1 56.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.21 110.883 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 34.9 mt -94.14 26.91 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 70.21 110.897 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.84 171.29 6.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.912 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.6 tp -84.91 -39.7 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 74.33 111.137 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -91.02 -33.44 15.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 71.24 110.854 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -106.05 36.49 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.896 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 15.9 tp -57.02 107.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.964 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -134.41 76.47 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.857 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 12.4 m -51.55 -28.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 64.02 111.096 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.58 -36.92 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.902 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -76.21 -34.77 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 72.11 110.888 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 22.5 t -58.07 -56.91 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 73.04 110.911 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 2.7 mp -53.18 -34.52 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 73.42 111.133 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.06 -37.66 88.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 75.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.97 -54.3 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.15 111.138 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 41.4 mt -53.36 -35.43 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 73.21 110.888 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -67.67 -35.4 78.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.877 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.45 -50.95 40.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 71.12 110.917 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.88 -34.36 62.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 72.31 110.964 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.25 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.109 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.34 26.37 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 63.33 110.805 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 32.3 mt -120.08 113.89 21.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.975 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -84.92 54.44 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 73.33 110.879 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.54 135.64 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 70.22 111.116 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -80.12 171.25 15.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 75.32 111.143 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -35.94 73.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.84 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -59.27 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 74.44 110.904 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.79 -40.17 88.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.937 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.14 -51.03 71.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 64.44 111.103 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.41 -38.87 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 71.43 110.888 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -62.7 -35.34 79.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 71.25 110.872 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -95.17 35.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.834 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.6 -34.24 49.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 64.12 111.151 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.34 -50.55 69.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.861 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 53.8 ttp -56.05 -39.42 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.899 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 61.6 mt -67.5 -38.78 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.163 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 19.3 m -62.16 -44.45 96.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 75.14 111.143 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 88.6 m -62.22 -36.3 81.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 73.13 111.156 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.97 -36.36 72.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.904 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -75.99 -28.7 57.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 72.41 110.877 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -75.44 -35.68 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 72.14 110.891 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.485 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 35.4 pt -73.48 -1.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 55.54 111.138 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -34.57 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.87 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.1 -19.38 7.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.833 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.485 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.43 117.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.844 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -173.13 133.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.864 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.83 127.34 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 73.41 111.148 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 8.3 t -64.3 172.24 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.829 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -73.29 -31.74 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 73.54 110.872 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 27.7 t -53.07 -44.25 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 75.33 111.135 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 74.7 mt -74.01 -42.43 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.103 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 19.5 mtm -59.44 -42.44 91.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.13 110.88 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -73.74 -33.41 64.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.929 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -72.07 -36.68 69.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 74.54 110.915 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 64.2 p -62.13 -49.08 77.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 75.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.9 m -52.41 -35.23 51.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 71.42 111.141 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 27.7 ttp -59.12 -51.21 71.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.917 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.3 -35.88 66.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 73.32 110.914 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -60.49 -46.92 88.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 75.05 110.911 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -40.4 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.926 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -54.34 -48.39 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.923 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -74.54 -36.3 63.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.898 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -55.75 -50.28 70.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.908 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -35.57 56.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 62.42 110.9 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 8.4 mtm -75.54 -35.06 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.877 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 75.14 110.897 -179.984 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.899 0.38 . . . . 71.1 110.886 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.64 -39.42 65.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 71.15 110.9 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -35.19 64.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.887 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 10.1 t -69.68 -37.65 76.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 64.41 110.854 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -75.38 -34.27 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.873 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.4 mp -68.12 -47.36 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.52 110.943 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.31 -29.01 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.892 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -35.51 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.89 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 94.4 mt -58.13 -42.29 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 73.14 111.123 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -72.14 -51.03 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.84 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.23 81.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 73.4 111.107 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -55.09 -54.42 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 64.34 110.882 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 34.0 mt -64.59 -33.26 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.098 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -52.33 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 71.35 110.907 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -74.82 -30.04 61.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 73.11 110.899 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.6 p -74.56 -7.5 53.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 73.51 110.864 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 42.0 mt -115.58 26.05 10.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 72.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 169.81 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.939 179.816 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.9 tp -84.26 -37.91 13.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.13 111.155 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.49 -31.73 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 72.25 110.855 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -109.81 36.53 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.874 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 19.3 tp -53.27 107.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 73.5 110.876 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.96 81.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.15 110.87 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.62 -26.82 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.152 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -51.91 -39.6 59.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.892 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -34.2 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.84 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 37.7 t -53.42 -59.07 5.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.901 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.52 -40.18 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 72.41 111.154 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.25 -39.72 76.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.928 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.83 -50.16 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.09 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 62.4 mt -52.18 -40.5 61.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.947 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -35.5 79.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.858 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -64.08 -50.02 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 72.41 110.858 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 7.0 tp -53.75 -48.87 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 75.32 110.913 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -54.62 -25.8 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.42 111.098 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.1 t -80.66 -33.04 35.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 74.33 110.835 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 62.7 mt -75.26 114.53 13.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 72.4 110.901 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -77.07 63.14 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.896 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.94 134.91 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 54.23 111.104 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -88.44 174.02 8.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 73.21 111.125 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -39.25 85.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.854 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -59.04 -46.79 87.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 70.25 110.937 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.19 -42.64 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.932 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.5 -49.35 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.076 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.93 -36.18 48.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.907 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -69.97 -35.67 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 75.54 110.895 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -95.4 35.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.838 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -40.1 59.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 63.35 111.135 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -55.79 -44.11 77.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 65.31 110.865 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 1.1 ttm -56.09 -46.11 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.899 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.32 -44.54 99.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.154 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 17.6 m -54.22 -36.31 63.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 73.22 111.167 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.1 m -69.19 -35.75 76.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 72.14 111.138 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.38 -35.7 78.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.13 110.914 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -76.3 -28.63 57.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.05 110.948 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -75.64 -34.84 60.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.903 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 37.1 pt -73.99 -1.78 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.44 111.161 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -33.56 40.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 64.01 110.882 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.24 -18.52 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.899 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.467 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.8 OUTLIER -40.89 121.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.918 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.44 137.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.88 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.19 131.67 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 53.33 111.123 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.6 t -66.9 171.16 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.868 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -72.72 -34.63 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.894 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.1 p -53.23 -40.83 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 73.33 111.137 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 93.7 mt -73.67 -48.77 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.096 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 12.7 mtm -57.3 -33.73 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 74.03 110.867 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -49.35 26.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.863 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -62.65 -38.06 88.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.892 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 78.1 p -55.16 -50.22 69.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.836 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 60.7 m -53.93 -45.59 71.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 73.02 111.14 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.8 tpt -51.68 -49.73 61.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.45 110.885 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 32.6 mt -71.65 -35.86 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.937 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -61.81 -60.68 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.932 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -56.86 -39.81 74.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 73.14 110.923 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -53.2 -46.05 68.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.918 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -75.26 -36.18 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 75.33 110.85 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -52.88 -57.9 8.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.883 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -51.93 -35.4 45.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 70.12 110.965 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.78 -34.82 64.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.873 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.35 110.885 -179.935 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.819 0.342 . . . . 65.44 110.86 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -40.38 64.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 74.41 110.85 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -35.27 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 75.42 110.886 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 9.9 t -69.22 -38.41 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.832 -179.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -75.11 -34.26 61.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 71.24 110.928 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.76 -47.8 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 64.05 110.871 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.96 -28.99 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 71.44 110.924 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -35.92 57.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.908 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 88.5 mt -58.07 -42.03 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 75.43 111.119 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -71.94 -51.19 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.824 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.29 -42.12 81.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 75.12 111.101 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -54.99 -54.26 45.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.866 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 34.7 mt -64.63 -34.22 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 73.45 111.142 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -54.22 -52.18 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.884 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -74.84 -30.24 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.885 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.7 p -74.13 -7.63 53.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 71.21 110.814 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 47.8 mt -115.75 26.18 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 70.21 110.872 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 170.06 9.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 75.01 110.888 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.7 tp -84.29 -38.43 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.117 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.36 -31.64 15.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.878 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -109.75 36.55 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.914 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 18.6 tp -53.38 107.4 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.923 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.1 81.85 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.903 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 10.7 m -62.06 -26.54 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 64.02 111.127 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -51.88 -39.58 59.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 75.41 110.891 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -34.36 59.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.82 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 47.2 t -53.24 -58.79 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 73.04 110.889 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.69 -40.45 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 73.42 111.079 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.92 -40.12 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 75.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.86 -49.77 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 73.15 111.129 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 62.0 mt -52.15 -40.67 61.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.937 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -34.94 77.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 74.33 110.819 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -64.16 -49.41 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 71.12 110.869 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 7.6 tp -53.98 -49.91 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.904 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -54.14 -25.98 25.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.129 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.1 t -79.73 -33.03 41.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 63.33 110.881 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 64.6 mt -76.02 115.06 15.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.956 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -77.16 63.32 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.906 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.93 134.9 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 70.22 111.13 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.5 t -88.51 173.77 8.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 75.32 111.116 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.11 88.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.841 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.16 -46.04 86.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 74.44 110.905 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.93 -41.47 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.23 110.92 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.13 -49.78 75.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 64.44 111.101 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -51.74 -36.15 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 71.43 110.911 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -69.51 -36.01 76.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 71.25 110.892 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -95.41 35.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.813 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -40.41 60.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 64.12 111.151 -179.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -55.52 -41.59 73.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.94 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -49.2 77.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.908 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 3.2 mt -58.85 -44.84 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.32 111.124 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 15.5 m -54.01 -36.29 62.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 75.14 111.171 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.2 m -69.53 -36.12 76.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 73.13 111.165 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.2 -35.12 77.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.934 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.22 -28.8 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.864 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -75.46 -35.76 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 72.14 110.882 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.464 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 36.9 pt -72.96 -1.82 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 55.54 111.123 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.86 -34.25 45.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.35 110.816 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.18 -20.04 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.818 -179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.2 120.38 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.886 -179.912 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.33 134.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.879 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.4 p -59.22 134.4 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.147 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.8 t -70.26 172.42 8.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.879 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -73.01 -34.65 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.54 110.898 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.09 -40.97 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 75.33 111.105 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 94.7 mt -73.65 -48.66 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.43 111.14 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.7 mtm -57.37 -33.44 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.892 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -51.16 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.862 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -61.08 -38.77 87.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 74.54 110.852 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 78.6 p -55.09 -50.1 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 61.7 m -52.76 -45.89 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 71.42 111.149 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -51.74 -55.01 22.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.885 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.46 -35.94 81.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 73.32 110.879 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -61.15 -61.25 2.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.938 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -58.18 -38.8 77.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 72.53 110.86 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -53.18 -46.01 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.924 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -75.46 -35.85 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.911 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -52.81 -57.76 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 74.04 110.925 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -51.85 -35.43 44.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 62.42 110.913 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.73 -34.36 64.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.867 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 75.14 110.868 -179.924 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.905 0.383 . . . . 71.1 110.893 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.8 tpt -53.47 -43.65 68.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 71.15 110.858 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.45 -36.04 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.881 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 57.9 m -63.87 -41.14 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.843 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -33.33 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.879 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 13.0 mt -71.23 -46.99 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.52 110.916 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -58.11 -27.55 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.925 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -77.02 -36.5 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.878 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 23.3 mt -64.04 -36.96 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 73.14 111.109 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -71.99 -46.59 56.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.893 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.83 -39.42 83.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 73.4 111.099 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.98 -42.17 72.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 64.34 110.857 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 25.0 mt -74.4 -29.2 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 73.32 111.132 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -58.66 -52.2 66.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 71.35 110.911 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -73.35 -31.22 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.877 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -74.61 -6.24 47.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 73.51 110.86 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 38.9 mt -117.28 26.01 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 72.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 169.34 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.893 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.46 -38.61 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.13 111.147 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.16 -32.68 15.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.25 110.875 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -109.97 36.55 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.865 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.7 tp -53.18 107.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 73.5 110.914 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -129.05 77.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.902 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 15.3 m -59.22 -28.31 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 73.32 111.128 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -52.14 -39.19 59.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.873 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -33.95 60.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.85 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 32.7 t -53.37 -58.28 7.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.876 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.42 -47.36 58.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 72.41 111.122 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.35 -35.05 36.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.874 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.95 -51.22 11.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.24 111.078 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.88 -35.05 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 75.53 110.869 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -49.03 76.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.841 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.86 -46.47 87.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.888 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -52.3 -47.73 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.948 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.68 76.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.42 111.05 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -73.71 -36.13 65.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.849 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 58.7 mt -67.71 110.58 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 72.4 110.916 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -77.37 61.52 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.923 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.22 138.28 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 54.23 111.152 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -93.92 173.16 7.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 73.21 111.102 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 11.6 tpt -57.04 -38.55 73.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.851 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -51.85 -59.17 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 70.25 110.895 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.19 -36.17 82.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 71.44 110.885 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.39 -49.31 74.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 74.33 111.14 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.46 -35.83 41.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.892 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 -34.09 59.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.853 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -95.09 35.59 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 74.23 110.875 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.15 -35.18 71.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 63.35 111.127 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.04 -42.89 91.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.884 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 11.9 ttp -55.19 -49.05 72.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.914 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.3 mt -58.23 -42.36 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 72.42 111.09 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 17.5 m -54.05 -37.52 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 73.22 111.173 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 73.5 m -70.36 -42.08 72.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 72.14 111.16 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 32.0 mt -53.49 -38.98 64.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.932 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -76.23 -28.76 57.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 75.05 110.937 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -75.59 -34.51 60.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.874 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.438 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 40.8 pt -75.14 -2.22 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.44 111.098 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -34.5 54.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 64.01 110.929 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.75 -12.58 9.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.891 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.438 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 3.4 t80 -44.27 115.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.928 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -174.04 138.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.945 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.1 p -67.49 134.4 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 53.33 111.129 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 36.9 t -69.22 168.28 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.85 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -70.74 -36.11 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.903 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.5 p -53.42 -38.62 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 73.33 111.131 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 91.1 mt -75.0 -45.34 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.148 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 15.2 mtm -59.33 -51.32 70.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.882 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -62.91 -35.56 80.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.831 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -70.91 -38.62 72.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 75.21 110.862 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.2 p -61.04 -47.46 86.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 72.43 110.914 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 71.9 m -53.33 -41.42 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 73.02 111.099 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.7 ttp -55.21 -46.66 75.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.45 110.894 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 67.5 mt -74.32 -41.48 61.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.913 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -53.07 -54.47 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.945 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -63.08 -36.07 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 73.14 110.899 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -53.45 -53.52 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.898 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -71.39 -36.02 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 75.33 110.875 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -56.35 -45.12 80.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.912 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.17 -35.43 77.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 70.12 110.923 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 17.0 mtm -76.05 -35.18 59.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 74.21 110.913 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 65.35 110.877 -179.931 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.915 0.388 . . . . 65.44 110.901 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.8 tpt -53.22 -43.61 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 74.41 110.877 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.99 -36.88 67.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.858 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 57.8 m -62.62 -41.37 98.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 73.54 110.842 -179.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -33.67 62.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 71.24 110.884 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.33 -47.64 55.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 64.05 110.9 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -58.37 -29.17 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.44 110.901 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -74.69 -37.7 62.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 73.31 110.843 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 13.7 mt -63.38 -35.95 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.43 111.116 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -71.54 -44.02 65.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.87 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.58 77.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 75.12 111.085 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.13 -42.93 73.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.89 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 29.6 mt -71.97 -34.49 50.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 73.45 111.13 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -56.71 -48.05 78.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.887 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.65 -31.54 59.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.88 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 5.8 p -75.82 -5.68 47.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.849 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.8 mt -118.1 26.39 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 70.21 110.911 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 170.97 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.917 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.2 tp -84.4 -40.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 74.33 111.134 179.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -91.29 -32.27 15.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.863 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -109.05 36.47 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.882 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 15.7 tp -53.39 107.4 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.919 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -131.76 81.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.857 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 8.9 m -61.69 -26.79 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 64.02 111.128 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -51.96 -39.54 59.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 75.41 110.842 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -33.79 60.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 72.11 110.899 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 23.7 t -53.12 -57.93 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.04 110.891 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.49 -46.17 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 73.42 111.113 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.67 -35.44 42.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.9 -50.27 13.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 73.15 111.132 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 19.2 mt -52.09 -35.55 48.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.878 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -48.92 74.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.868 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.41 -46.63 86.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.866 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.47 -50.48 62.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.925 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -58.92 -34.02 71.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 71.22 111.075 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -74.37 -36.69 63.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 63.33 110.851 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.33 110.51 3.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 75.1 110.895 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.7 60.68 2.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.91 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -69.76 137.92 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 70.22 111.114 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -92.91 173.33 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.32 111.11 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 11.5 tpt -57.49 -38.43 74.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 75.31 110.93 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -51.78 -58.19 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.907 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.1 -36.24 81.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.906 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.61 75.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 64.44 111.124 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -52.0 -35.87 48.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 71.43 110.904 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -35.25 61.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 71.25 110.873 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -95.17 35.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.844 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -35.32 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.12 111.128 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -41.27 85.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.866 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 8.9 ttp -55.36 -52.06 64.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.844 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 2.9 mp -54.68 -44.18 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.142 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 19.8 m -54.03 -35.28 61.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 75.14 111.194 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.5 m -72.68 -40.42 66.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 73.13 111.2 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 19.4 mt -57.44 -37.32 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.923 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -75.65 -28.61 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 72.41 110.904 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.69 -36.25 60.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.871 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.472 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 38.5 pt -73.23 -0.84 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 55.54 111.168 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -35.12 45.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.903 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.53 -19.0 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.848 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -39.93 117.66 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.911 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.35 141.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 74.41 110.936 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.4 133.86 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 73.41 111.116 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 36.1 t -69.11 164.7 21.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 72.24 110.883 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -63.7 -35.49 80.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.947 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -53.63 -36.52 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 75.33 111.12 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 91.5 mt -74.47 -46.64 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 74.43 111.137 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 14.1 mtm -61.34 -52.26 65.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 75.13 110.903 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.33 -36.17 75.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.925 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -71.19 -39.37 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.874 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 41.1 p -60.42 -48.42 81.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 75.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 57.6 m -52.5 -42.36 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 71.42 111.174 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 3.7 ttp -54.73 -46.47 74.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 75.51 110.913 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 60.2 mt -74.03 -42.69 59.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 73.32 110.923 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -51.14 -57.52 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 75.05 110.92 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -58.86 -35.34 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.869 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -54.55 -53.53 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.95 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -70.52 -37.01 74.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 72.12 110.861 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -56.81 -45.88 81.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 74.04 110.927 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -35.94 76.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 62.42 110.901 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 17.7 mtm -76.63 -34.98 58.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.894 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.94 -179.985 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.882 0.372 . . . . 71.1 110.867 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.27 -38.58 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 71.15 110.922 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.56 -34.25 62.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 75.24 110.847 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 28.6 t -70.6 -37.46 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.879 -179.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -75.0 -34.15 61.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 74.54 110.93 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.87 -47.54 62.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.895 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -57.6 -30.77 65.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.904 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -77.1 -37.21 54.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.873 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 20.3 mt -64.96 -41.87 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 73.14 111.129 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -72.32 -41.6 66.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.855 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.72 77.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 73.4 111.106 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.86 -45.63 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 64.34 110.888 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 33.7 mt -66.0 -32.54 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 73.32 111.111 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -54.54 -52.34 62.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 71.35 110.916 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -75.42 -26.9 58.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.857 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.4 p -77.52 -4.62 46.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.51 110.88 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 50.8 mt -120.11 25.75 9.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 72.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 169.91 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.13 110.925 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.0 tp -84.43 -38.49 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.13 111.131 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -92.43 -32.2 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.919 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -110.88 36.6 3.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.817 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 18.8 tp -53.15 107.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.845 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -127.77 76.96 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 74.15 110.896 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 15.0 m -58.83 -28.25 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.079 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -41.48 62.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.9 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -75.73 -35.3 60.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.871 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 49.3 t -53.72 -45.94 70.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 75.13 110.88 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.52 -48.19 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 72.41 111.132 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -51.7 -34.16 37.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.873 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.74 -53.84 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.094 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 20.6 mt -51.99 -35.78 47.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 75.53 110.9 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -44.09 91.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.836 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -46.59 89.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 72.41 110.901 -179.893 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.23 -53.84 38.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 75.32 110.903 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.39 -35.24 67.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.42 111.088 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 2.3 t -66.27 -34.75 78.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.838 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 84.3 mt -73.79 139.65 45.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.953 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -101.77 56.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.913 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.81 140.6 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 54.23 111.148 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.1 t -98.39 170.13 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.17 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -34.9 56.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.895 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -52.74 -59.25 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 70.25 110.943 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -36.38 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 71.44 110.903 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.99 84.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.104 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -51.42 -36.19 42.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.942 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -75.51 -34.15 60.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 75.54 110.906 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -95.18 35.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 74.23 110.902 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.8 p -57.95 -34.98 70.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 63.35 111.149 -179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.05 -42.61 90.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 65.31 110.892 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 36.5 ttp -55.32 -49.63 71.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.857 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.41 -41.89 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 72.42 111.106 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 2.3 m -54.13 -37.53 64.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 73.22 111.186 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 91.5 m -70.95 -40.82 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 72.14 111.097 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 36.7 mt -54.27 -38.03 65.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.925 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -76.48 -28.55 56.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.912 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -75.51 -34.64 60.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 73.14 110.89 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.452 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 38.2 pt -74.49 -2.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.163 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -34.13 58.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 64.01 110.878 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.43 -12.7 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.867 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.452 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 5.9 t80 -44.44 114.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.912 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -173.29 139.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.879 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.1 p -66.31 134.59 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 53.33 111.123 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.1 t -68.35 171.62 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.852 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -74.67 -32.94 62.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.925 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -58.62 -37.08 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 73.33 111.178 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 84.7 mt -75.16 -45.18 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.31 111.16 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 15.4 mtm -58.54 -49.88 75.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 74.03 110.919 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.05 -33.99 77.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 73.25 110.891 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -70.95 -35.83 72.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.886 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 52.4 p -63.63 -47.83 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.869 -179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 91.8 m -52.58 -41.71 63.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 73.02 111.122 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -52.21 -49.92 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.884 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 53.0 mt -74.35 -38.52 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 74.02 110.907 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -55.22 -45.46 75.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.975 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -36.24 70.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.936 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -55.48 -51.01 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.907 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -73.76 -35.39 65.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 75.33 110.896 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -62.83 -36.37 82.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.91 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.27 -46.58 88.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 70.12 110.892 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 14.7 ptp -78.03 -33.33 51.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.843 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 65.35 110.834 -179.883 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.859 0.361 . . . . 65.44 110.868 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.43 -38.44 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 74.41 110.884 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.18 -34.67 63.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.42 110.865 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 28.9 t -69.82 -35.9 75.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 73.54 110.897 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -76.63 -32.38 57.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 71.24 110.882 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.76 -43.38 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 64.05 110.945 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -61.06 -40.45 93.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.959 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -70.88 -35.23 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.899 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 33.1 mt -65.4 -41.49 91.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 75.43 111.136 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -72.29 -38.39 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.852 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.83 -39.48 72.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 75.12 111.079 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.81 -43.35 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.897 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 30.5 mt -67.02 -35.5 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 73.45 111.106 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -55.96 -49.6 73.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.888 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -74.95 -29.52 60.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 75.2 110.901 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.1 p -77.78 -3.87 43.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 71.21 110.834 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 50.3 mt -120.61 26.28 9.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 70.21 110.94 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 171.24 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 75.01 110.88 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.6 tp -84.48 -39.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.116 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -91.97 -31.78 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 71.24 110.842 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -109.87 36.45 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 75.13 110.88 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 17.4 tp -53.1 107.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.939 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -129.85 80.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.12 110.838 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 8.8 m -61.18 -26.47 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 64.02 111.095 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -41.71 62.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.914 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -75.85 -35.01 60.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 72.11 110.876 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 41.9 t -53.71 -45.67 70.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.905 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.4 mt -65.41 -47.66 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.166 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.92 -35.45 45.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 75.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -74.0 -54.01 8.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 73.15 111.079 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.16 -35.98 50.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.945 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -42.24 95.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 74.33 110.877 179.836 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -47.82 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.886 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -52.4 -54.36 33.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 72.31 110.888 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.3 -34.93 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.103 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 2.3 t -68.32 -35.19 77.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 63.33 110.865 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.01 139.25 46.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 75.1 110.903 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -101.28 56.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.956 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.06 140.54 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 70.22 111.149 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -97.91 170.94 8.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 75.32 111.171 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -35.65 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.857 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -52.54 -59.15 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.94 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -36.03 75.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.927 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.27 87.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 64.44 111.085 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -51.73 -35.79 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.43 110.887 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -75.5 -34.99 60.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.25 110.892 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -95.14 35.68 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.837 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 2.8 p -58.64 -37.6 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 64.12 111.128 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.77 -42.49 75.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 75.43 110.901 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 39.7 ttp -55.35 -50.97 68.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.932 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 3.3 mt -57.55 -36.49 54.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.119 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 2.4 m -57.71 -36.33 71.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 75.14 111.126 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.1 m -74.03 -40.36 62.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 73.13 111.151 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 49.1 mt -51.98 -38.95 58.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.11 110.899 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -75.75 -28.93 58.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.85 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -74.68 -36.4 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.884 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.456 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 35.7 pt -73.38 -0.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 55.54 111.089 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -34.49 41.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 71.35 110.88 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.55 -19.27 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 73.43 110.847 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.456 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -39.83 117.83 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.51 110.888 -179.907 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -175.07 142.36 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 74.41 110.888 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 19.4 m -71.28 132.01 33.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 73.41 111.125 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 34.7 t -67.42 164.83 17.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 72.24 110.864 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -63.45 -35.11 79.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 73.54 110.917 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.8 p -54.32 -35.83 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 75.33 111.147 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 95.3 mt -74.68 -47.52 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 74.43 111.165 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.6 mtt -60.89 -50.6 72.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.91 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -61.72 -34.58 76.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.91 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -73.02 -35.08 66.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.884 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 36.5 p -63.57 -48.37 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 75.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.7 m -52.36 -41.32 62.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 71.42 111.153 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -52.55 -50.35 63.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 75.51 110.834 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.11 -37.86 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.936 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -56.43 -44.05 80.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.05 110.929 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -38.18 65.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 72.53 110.854 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -53.71 -51.09 64.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 72.32 110.9 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.9 -34.24 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 72.12 110.838 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -62.99 -34.82 78.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.907 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.07 -46.17 91.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 62.42 110.895 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 14.5 ptp -77.55 -33.24 54.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.854 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 75.14 110.872 -179.91 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.88 0.371 . . . . 71.1 110.808 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.8 tpt -53.51 -37.74 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 71.15 110.904 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.61 -35.75 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 75.24 110.891 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 13.1 t -67.95 -37.48 81.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 64.41 110.894 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -75.94 -33.84 59.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.54 110.851 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.5 mp -71.21 -47.98 54.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.904 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -55.6 -29.8 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 72.33 110.897 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.0 -41.17 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.859 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 23.3 mt -58.54 -41.08 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.122 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -72.02 -46.57 56.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.853 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.01 97.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.4 111.083 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -55.05 -52.18 64.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 64.34 110.872 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 45.5 mt -55.7 -35.38 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 73.32 111.14 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -59.26 -47.27 86.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.877 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -75.52 -30.9 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 73.11 110.9 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 7.9 p -78.1 -3.07 40.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.863 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 51.9 mt -121.45 26.25 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 72.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 171.14 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 73.13 110.874 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.44 -40.81 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 75.13 111.122 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -92.43 -32.63 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.831 179.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -109.02 36.27 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.881 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 18.2 tp -53.52 107.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 73.5 110.933 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -125.37 69.21 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.933 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 6.7 m -52.23 -29.05 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.14 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -52.02 -41.41 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.881 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -33.78 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 74.44 110.878 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 35.4 t -53.3 -46.16 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 75.13 110.9 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -66.08 -48.2 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.41 111.143 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.8 -35.23 43.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.873 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.83 -54.1 7.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.24 111.064 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 84.2 mt -52.75 -38.98 61.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 75.53 110.893 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -36.05 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.902 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.26 -47.78 66.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 72.41 110.891 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.16 -35.72 67.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.953 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.49 74.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.42 111.114 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 7.1 t -71.64 -36.45 70.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.854 -179.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.02 145.7 54.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 72.4 110.864 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -97.59 62.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.896 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.95 136.89 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 54.23 111.096 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -106.68 170.72 7.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 73.21 111.176 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.76 -37.29 59.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.904 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -51.95 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.25 110.94 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -40.14 65.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 71.44 110.949 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.5 75.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.051 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -52.22 -36.7 52.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 75.25 110.924 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -80.04 -36.06 36.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 75.54 110.878 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -96.04 35.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.832 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 12.6 p -60.59 -34.16 73.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 63.35 111.089 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.17 -45.77 75.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 65.31 110.894 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 58.8 ttp -59.8 -38.96 83.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.877 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 42.6 mt -69.03 -34.78 65.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 72.42 111.108 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 45.8 m -61.97 -40.88 97.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 73.22 111.135 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 84.8 m -64.79 -37.93 89.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 72.14 111.171 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 15.5 mt -53.7 -35.23 60.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.917 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -76.58 -28.53 56.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.901 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -75.82 -35.32 60.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 73.14 110.889 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 36.3 pt -73.11 -2.18 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.118 179.885 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -34.16 49.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 64.01 110.914 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.43 -20.06 7.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.876 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.9 OUTLIER -42.12 117.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.863 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -179.56 136.29 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.926 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 1.4 m -51.63 157.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 53.33 111.102 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 40.5 t -97.86 155.69 16.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.885 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -51.77 -35.59 44.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.895 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.66 -39.76 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.33 111.134 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 78.8 mt -71.43 -50.34 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.31 111.131 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 18.3 mtm -60.22 -30.58 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 74.03 110.865 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.38 -53.4 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.896 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -56.95 -39.69 75.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.905 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 90.1 p -55.23 -53.39 56.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.858 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 86.7 m -52.78 -35.7 57.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.09 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -51.43 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 75.45 110.848 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 18.7 mt -72.15 -36.02 69.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 74.02 110.897 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -60.12 -44.71 94.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.925 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -72.77 -40.33 66.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.923 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -53.97 -45.66 71.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.906 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -70.7 -38.56 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 75.33 110.88 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -52.0 -55.38 20.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.898 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -51.93 -35.43 45.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 70.12 110.886 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 27.7 mtm -75.29 -34.45 61.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.21 110.923 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.905 -179.974 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.861 0.362 . . . . 65.44 110.849 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.2 tpt -53.21 -37.92 62.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.913 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.02 -35.73 66.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.832 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.0 t -68.09 -38.31 82.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 73.54 110.839 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -75.86 -35.04 60.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 71.24 110.848 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.47 -48.15 51.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.05 110.904 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -56.52 -30.67 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.915 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.37 -41.28 61.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.881 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 14.8 mt -59.5 -41.28 84.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.43 111.129 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -68.93 -44.06 73.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.875 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.51 93.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 75.12 111.089 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -55.19 -50.31 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.898 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 47.0 mt -57.44 -35.22 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 73.45 111.083 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -59.13 -47.33 85.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 74.42 110.873 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -75.67 -30.8 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.876 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 7.1 p -78.38 -2.56 38.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.895 -179.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 47.9 mt -121.45 25.77 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 70.21 110.967 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 170.29 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 75.01 110.914 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 6.1 tp -84.63 -39.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.115 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -92.74 -32.14 14.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 71.24 110.875 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -110.9 36.67 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.878 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 18.3 tp -53.35 107.54 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.93 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -124.66 68.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.12 110.902 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 6.6 m -51.82 -29.51 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 64.02 111.139 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -51.81 -41.56 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.857 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -33.79 60.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.895 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.8 t -53.16 -46.78 69.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.04 110.889 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.57 -47.41 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 73.42 111.145 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.13 -35.63 48.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 75.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.66 -53.95 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.15 111.102 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 84.5 mt -52.24 -36.06 51.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.892 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -35.86 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.847 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.98 -50.22 62.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.888 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.8 -37.76 66.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 72.31 110.887 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.37 -37.96 80.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 71.22 111.113 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 7.1 t -71.4 -36.66 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 63.33 110.861 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.14 145.35 55.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 75.1 110.937 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -97.16 61.93 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.914 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.67 136.72 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 70.22 111.088 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.3 t -106.82 170.76 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 75.32 111.136 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -37.75 56.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.857 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -52.04 64.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.941 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -40.39 66.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.23 110.958 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.73 74.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 64.44 111.108 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -52.02 -36.47 50.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.928 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -79.91 -36.26 36.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 71.25 110.917 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -95.53 35.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.861 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 12.7 p -59.87 -34.43 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.12 111.1 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -47.17 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 75.43 110.911 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 58.9 ttp -58.25 -40.39 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.866 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 44.6 mt -67.49 -35.04 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.14 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 45.0 m -61.93 -41.11 97.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.119 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.5 m -64.44 -38.44 91.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 73.13 111.172 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 16.5 mt -53.19 -35.04 59.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.926 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -76.75 -28.88 55.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.41 110.871 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -76.02 -34.87 59.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.14 110.913 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.458 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 41.0 pt -73.54 -1.91 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 55.54 111.098 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -33.14 37.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.837 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.5 -20.39 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.883 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.458 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.6 OUTLIER -42.83 115.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.895 -179.902 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -177.4 132.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 74.41 110.881 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.4 m -53.58 144.77 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.133 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 39.9 t -84.29 158.68 21.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.859 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -54.54 -37.72 65.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.54 110.903 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 5.6 p -56.38 -40.7 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 75.33 111.173 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 78.3 mt -71.14 -49.45 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 74.43 111.172 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.3 mtm -60.76 -31.19 70.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 75.13 110.897 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.93 -52.62 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 74.42 110.901 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -58.18 -39.5 79.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.909 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 91.7 p -55.18 -53.05 60.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 75.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.3 m -52.68 -36.56 57.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 71.42 111.153 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -51.41 70.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.95 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 18.0 mt -71.78 -36.62 70.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.958 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.12 -44.71 94.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.877 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -72.57 -40.67 66.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 72.53 110.849 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -53.85 -45.88 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.945 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -70.27 -38.32 75.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.87 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -52.29 -54.78 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.859 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -52.31 -35.31 50.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.859 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 27.9 mtm -75.26 -34.45 61.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.876 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 75.14 110.858 -179.954 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 34.8 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.846 0.355 . . . . 71.1 110.821 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.2 tpt -63.32 -36.27 83.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 71.15 110.916 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -73.51 -37.1 65.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.894 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 19.2 m -63.22 -39.44 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 64.41 110.846 -179.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -76.14 -32.92 59.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.861 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.34 -32.95 61.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.886 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -32.86 70.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.934 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -78.75 -37.84 40.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.847 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 36.1 mt -61.03 -37.56 77.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.101 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.43 -49.93 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.873 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.52 91.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.4 111.105 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -54.89 -37.96 66.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 64.34 110.866 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 30.5 mt -74.12 -30.28 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.32 111.132 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -52.57 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.873 179.886 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -72.81 -27.13 61.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.884 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.5 p -77.2 -13.19 59.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 73.51 110.873 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 54.2 mt -113.75 25.94 10.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 72.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 169.5 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.924 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.1 tp -84.71 -41.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 75.13 111.118 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -91.18 -32.23 15.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.869 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -109.7 36.18 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.896 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.38 107.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 73.5 110.924 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -125.23 71.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.876 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 6.7 m -51.05 -30.38 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 73.32 111.186 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -52.06 -40.29 60.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 71.21 110.887 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -33.52 59.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.854 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 11.0 t -53.26 -55.08 27.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.883 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -59.11 -37.01 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 72.41 111.144 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.23 -36.76 78.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.904 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.83 -53.64 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.24 111.126 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 69.4 mt -52.15 -35.79 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 75.53 110.908 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.1 -48.86 78.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.919 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -57.55 -49.93 74.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.922 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -52.59 -36.87 56.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 75.32 110.924 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.38 -35.67 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.42 111.083 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.77 -35.63 62.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.873 -179.779 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.78 119.32 12.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 72.4 110.882 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -79.92 71.51 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.43 110.868 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.4 p -79.89 144.08 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 54.23 111.146 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.3 t -96.44 174.9 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.136 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -38.09 81.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.889 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -52.19 -59.35 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 70.25 110.882 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.44 -35.43 80.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 71.44 110.864 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.86 92.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 74.33 111.119 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -51.61 -36.08 44.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.886 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -74.05 -33.78 63.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 75.54 110.915 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -95.13 35.59 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.834 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -34.92 63.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.35 111.154 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.06 -44.88 91.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 65.31 110.885 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 49.2 ttp -55.15 -53.23 58.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.92 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.1 mt -56.94 -39.87 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 72.42 111.129 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 85.9 m -54.04 -39.51 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.22 111.158 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 89.1 m -68.55 -40.61 80.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 72.14 111.083 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 59.0 mt -51.83 -38.77 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.924 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -28.92 57.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 75.05 110.908 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -74.94 -35.92 62.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.892 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 36.3 pt -73.11 -1.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.44 111.132 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -78.52 -34.52 47.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.887 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.84 -20.17 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.816 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.6 OUTLIER -41.29 115.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 75.04 110.882 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -176.98 138.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.925 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 2.5 m -57.54 143.89 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 53.33 111.135 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 29.4 t -82.79 157.1 23.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.857 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -51.78 -40.27 60.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.974 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.2 -41.06 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.33 111.082 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 80.5 mt -68.86 -45.4 80.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 74.31 111.099 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.8 mtm -64.99 -33.84 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 74.03 110.851 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.22 -53.53 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.882 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -56.81 -40.82 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 75.21 110.864 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 59.3 p -55.64 -49.68 72.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 72.43 110.839 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 31.4 m -53.56 -46.52 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 73.02 111.137 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 24.3 ttp -52.55 -52.07 56.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.906 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 68.2 mt -66.58 -42.26 87.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 74.02 110.936 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -55.15 -53.82 51.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.95 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -61.76 -36.35 80.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.86 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -54.52 -53.88 48.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.894 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -75.62 -36.21 60.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.869 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -58.75 -43.56 90.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 75.43 110.906 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -61.91 -35.26 77.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 70.12 110.832 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 48.7 mtm -76.32 -35.32 58.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.897 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 65.35 110.88 -179.925 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.83 0.348 . . . . 65.44 110.863 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.0 tpt -62.21 -36.68 82.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 74.41 110.896 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.36 -35.29 65.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.86 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 20.4 m -64.85 -40.1 94.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.871 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -75.2 -35.48 61.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 71.24 110.877 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.49 -47.92 52.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 64.05 110.941 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -29.96 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.891 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -76.78 -43.07 38.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.855 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 16.6 mt -59.47 -34.77 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.43 111.129 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -71.83 -51.14 23.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.867 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.08 -41.26 99.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.12 111.12 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.59 -36.23 64.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.879 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 34.7 mt -74.37 -34.57 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 73.45 111.104 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -56.81 -51.39 69.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.887 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.12 -31.34 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.894 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.4 p -75.59 -10.92 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 71.21 110.888 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 48.6 mt -114.78 26.44 10.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 70.21 110.95 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 170.07 11.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 75.01 110.932 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.9 tp -84.54 -42.38 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.33 111.127 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -90.87 -32.22 16.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 71.24 110.894 179.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -109.41 36.23 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 75.13 110.877 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 14.8 tp -55.67 107.65 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.884 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -125.03 71.29 1.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.878 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 6.6 m -51.29 -30.39 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 64.02 111.074 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -52.03 -40.07 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 75.41 110.851 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -33.78 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 72.11 110.916 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 11.1 t -53.33 -55.66 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 73.04 110.842 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.38 -35.9 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 73.42 111.132 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.84 -36.84 82.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.833 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.61 -52.46 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 73.15 111.091 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 69.5 mt -52.29 -35.73 51.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.926 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -63.43 -48.33 78.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.934 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.99 -50.02 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 71.12 110.856 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -53.28 -39.47 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 72.31 110.903 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.97 76.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.117 179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -35.91 58.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 63.33 110.858 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 88.3 mt -68.63 120.09 14.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 75.1 110.888 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -80.96 70.21 7.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 73.33 110.961 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -79.39 143.15 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 70.22 111.157 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.4 t -95.29 174.59 6.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.32 111.109 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -38.31 84.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.883 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -51.89 -58.29 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.862 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.36 -35.85 82.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.23 110.898 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.03 88.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 64.44 111.109 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -51.86 -35.94 46.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.872 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -72.93 -34.93 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 71.25 110.899 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.14 35.58 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.859 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.8 -35.8 61.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 64.12 111.185 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.68 -43.53 85.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.912 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 42.1 ttp -55.65 -54.6 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.878 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 2.9 mt -54.09 -41.65 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.104 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 94.0 m -54.14 -38.59 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.14 111.144 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.8 m -69.07 -41.93 76.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 73.13 111.151 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 34.8 mt -53.02 -37.62 61.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.92 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -28.76 56.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.912 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -75.53 -35.46 60.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 72.14 110.907 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.475 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 36.6 pt -73.15 -1.61 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 55.54 111.131 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -78.46 -34.44 47.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.35 110.884 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.86 -20.09 7.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.846 -179.901 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.475 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.8 OUTLIER -40.98 115.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.51 110.862 -179.897 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -176.65 139.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.924 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.3 m -58.09 145.76 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.41 111.148 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.9 t -85.89 156.27 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 72.24 110.898 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -51.8 -36.06 46.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.903 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.59 -40.6 82.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 75.33 111.115 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 75.9 mt -70.94 -48.39 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.119 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 23.7 mtm -62.36 -31.59 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.886 179.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -73.38 -53.22 11.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.863 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -57.99 -40.0 79.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.929 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 81.3 p -55.21 -50.48 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 75.0 110.825 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 30.8 m -53.02 -47.03 68.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 71.42 111.124 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 24.7 ttp -51.87 -51.64 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.51 110.816 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.75 -44.05 82.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 73.32 110.911 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -52.79 -56.7 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.92 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -58.1 -35.48 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.893 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -55.16 -53.15 59.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.858 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -75.04 -38.57 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 72.12 110.908 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -57.6 -44.54 85.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.912 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -60.82 -35.96 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 62.42 110.898 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 48.5 mtm -76.88 -35.13 57.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.896 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 75.14 110.885 -179.95 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.834 0.35 . . . . 71.1 110.845 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -36.95 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 71.15 110.83 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.49 -38.27 65.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 75.24 110.842 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.3 m -60.78 -42.09 96.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.88 -179.747 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -74.88 -32.92 61.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.887 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 2.5 mp -73.32 -32.31 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.88 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -69.5 -35.4 75.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.922 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -77.91 -37.38 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.881 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 27.7 mt -57.48 -41.08 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 73.14 111.147 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -72.44 -49.89 30.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.865 179.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.15 85.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.4 111.064 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -54.72 -39.38 68.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 64.34 110.86 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 37.1 mt -69.42 -33.06 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 73.32 111.086 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -62.9 -52.31 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.35 110.876 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -68.35 -28.5 67.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.942 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 24.3 p -77.43 -29.17 52.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 73.51 110.871 -179.856 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 40.8 mt -94.57 26.78 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 72.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 170.21 9.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.13 110.894 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.3 tp -84.81 -40.33 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 75.13 111.142 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -89.82 -33.92 16.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 72.25 110.891 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -106.19 36.34 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.908 -179.892 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 15.6 tp -56.18 107.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 73.5 110.867 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -134.48 77.85 1.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.15 110.898 179.82 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 13.9 m -51.35 -29.32 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.32 111.132 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -51.87 -38.64 56.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.916 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.06 -35.2 59.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.859 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 5.5 t -53.74 -59.53 4.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 75.13 110.924 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.5 -44.3 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 72.41 111.127 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.75 -37.24 50.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.888 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.19 -54.2 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.24 111.078 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 88.4 mt -52.44 -37.15 56.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 75.53 110.895 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -44.58 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.84 179.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.67 -44.13 94.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.898 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.82 -35.26 76.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.941 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.93 76.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 74.42 111.107 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.0 t -67.9 -34.91 77.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.84 -179.757 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.25 150.12 49.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 72.4 110.921 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -109.75 54.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.966 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 4.6 p -66.83 140.89 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 54.23 111.112 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.3 t -102.98 171.3 7.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 73.21 111.142 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 4.1 ttt -55.03 -35.49 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.887 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -53.69 -56.77 14.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 70.25 110.908 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -74.06 -35.97 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 71.44 110.923 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.21 88.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.112 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.51 -42.65 61.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.887 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -66.3 -34.51 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 75.54 110.932 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -95.11 35.72 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.87 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.19 -35.14 48.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 63.35 111.158 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -46.52 88.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 65.31 110.908 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -55.2 -37.75 67.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.869 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 4.2 mt -70.12 -42.27 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 72.42 111.111 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 87.4 m -55.92 -46.6 78.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.22 111.119 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 25.9 m -57.67 -43.7 85.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.14 111.136 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 19.8 mt -52.13 -37.07 53.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.896 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -28.79 57.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.908 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -75.5 -35.1 60.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.903 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.487 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 36.1 pt -73.76 -1.36 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 75.44 111.12 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -34.74 41.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 64.01 110.911 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.06 -14.99 8.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.88 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.487 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -43.39 121.38 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.869 -179.927 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -177.52 142.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.876 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.0 p -70.55 135.8 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 53.33 111.157 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -72.8 173.7 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.846 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -73.15 -32.99 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 74.23 110.951 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.93 -42.56 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 73.33 111.13 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 22.6 mt -74.0 -49.95 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.11 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 31.2 mtm -55.25 -33.99 63.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.03 110.888 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.74 -52.85 13.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.88 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -59.44 -40.41 86.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.886 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.2 p -54.97 -47.39 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.826 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 58.3 m -57.22 -45.66 83.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 73.02 111.189 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 30.1 ttp -53.54 -44.7 69.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.907 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 50.3 mt -73.53 -43.37 60.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 74.02 110.904 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -55.07 -55.12 34.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.953 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -58.83 -35.85 73.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 73.14 110.879 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -55.22 -52.04 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.909 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -74.28 -36.74 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 75.33 110.901 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -56.14 -54.16 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.897 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -53.5 -34.52 58.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 70.12 110.873 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 33.8 mtm -78.27 -29.46 47.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.896 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 65.35 110.846 -179.891 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.919 0.39 . . . . 65.44 110.894 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -37.51 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 74.41 110.896 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.03 -36.37 66.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.903 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -64.23 -40.91 97.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.54 110.83 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 6.5 ptm85 -75.9 -35.34 59.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 71.24 110.873 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.8 mt -70.4 -47.81 59.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 64.05 110.945 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -55.84 -31.1 62.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 71.44 110.902 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -76.84 -42.99 38.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.846 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 16.2 mt -55.89 -37.09 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.43 111.074 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -71.78 -51.07 24.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.872 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.48 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.12 111.117 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -55.08 -40.41 70.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.879 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 34.7 mt -68.45 -33.26 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.45 111.148 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -62.23 -52.16 64.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.913 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -68.89 -28.04 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 75.2 110.934 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 22.9 p -77.44 -29.34 52.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.836 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.2 mt -94.78 26.66 3.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 70.21 110.932 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 170.39 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.01 110.942 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.4 tp -84.83 -40.16 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 74.33 111.162 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -90.14 -33.8 16.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 71.24 110.869 179.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -106.24 36.53 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.897 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 15.4 tp -56.36 107.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.895 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -134.35 77.82 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.888 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 13.8 m -51.52 -29.21 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 64.02 111.117 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -51.91 -38.64 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.891 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.06 -35.42 59.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 72.11 110.881 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 5.5 t -53.65 -59.37 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 73.04 110.88 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.42 -44.45 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 73.42 111.137 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.67 -37.19 49.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.01 -54.0 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 73.15 111.13 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 89.8 mt -52.15 -35.54 48.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 73.21 110.922 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -42.46 99.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.883 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.61 -50.18 70.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 71.12 110.906 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.75 -35.26 68.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 72.31 110.952 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.21 -40.78 77.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 71.22 111.106 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.0 t -66.9 -35.24 79.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 63.33 110.808 -179.754 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 90.0 mt -67.06 148.56 51.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 75.1 110.944 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -107.66 55.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.881 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 4.9 p -66.89 140.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 70.22 111.126 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.2 t -102.22 171.83 7.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 75.32 111.118 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.1 ttt -56.84 -35.57 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.862 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -53.53 -56.53 16.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.934 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -74.0 -35.94 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.905 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.22 88.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 64.44 111.111 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.46 -41.86 61.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 71.43 110.862 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -66.75 -35.34 79.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 71.25 110.864 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -95.36 35.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 74.34 110.833 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.24 -35.17 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 64.12 111.118 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -45.64 93.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.869 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -55.63 -38.53 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.849 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 4.1 mt -70.03 -39.94 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 73.32 111.111 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 89.0 m -57.22 -45.09 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.14 111.123 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 31.9 m -60.6 -41.89 95.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 73.13 111.142 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 44.5 mt -51.52 -38.65 55.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 75.11 110.934 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.15 -28.89 57.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.91 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -74.54 -35.47 63.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.903 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.501 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 33.9 pt -74.08 -1.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 55.54 111.181 179.837 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -34.56 39.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 71.35 110.872 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -14.95 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.844 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.501 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -43.41 121.2 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.884 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -177.4 142.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.907 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.79 135.61 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 73.41 111.057 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -72.57 173.57 8.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 72.24 110.844 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -73.1 -33.02 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 73.54 110.911 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -53.0 -42.46 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 75.33 111.144 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 21.9 mt -74.04 -50.09 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 74.43 111.136 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 31.2 mtm -55.2 -33.72 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.911 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.93 -53.05 12.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.893 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -59.42 -39.84 84.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 74.54 110.893 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.7 p -54.95 -48.71 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 57.9 m -56.11 -45.22 79.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 71.42 111.175 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 30.5 ttp -53.67 -44.71 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.822 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 59.6 mt -73.98 -41.58 61.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 73.32 110.934 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -58.11 -51.68 68.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.967 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -62.79 -39.56 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 72.53 110.92 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -53.29 -51.26 62.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.896 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -75.38 -35.42 61.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 72.12 110.882 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -58.07 -51.42 69.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.876 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -53.19 -33.75 54.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 62.42 110.869 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.8 mtm -76.83 -34.68 57.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.876 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.14 110.901 -179.989 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.859 0.361 . . . . 71.1 110.853 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.8 tpt -53.62 -36.87 62.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 71.15 110.847 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.67 -36.32 65.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 75.24 110.859 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -36.71 81.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 64.41 110.825 -179.744 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -77.4 -33.3 55.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.866 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.71 -40.74 61.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.52 110.882 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -63.2 -35.38 80.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.33 110.93 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -77.28 -35.3 55.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.873 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 24.1 mt -61.39 -44.25 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.14 111.128 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -72.22 -45.23 61.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.83 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.76 99.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 73.4 111.094 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -54.99 -42.33 72.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.907 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 41.2 mt -66.98 -34.31 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.121 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -58.46 -51.88 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 71.35 110.891 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -71.73 -33.58 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 73.11 110.89 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.4 p -74.05 -7.55 52.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.51 110.881 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 36.4 mt -115.08 26.34 10.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 72.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 170.58 10.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.934 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.7 tp -84.33 -37.81 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 75.13 111.117 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -92.99 -31.86 14.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.882 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -108.85 36.36 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.899 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 19.9 tp -53.34 107.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 73.5 110.947 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.41 81.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.868 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 12.5 m -60.69 -27.2 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.16 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -51.85 -39.58 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.888 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -75.89 -35.28 59.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.882 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 38.2 t -54.98 -54.52 41.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.861 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -55.16 -51.34 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.41 111.156 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.56 -34.08 35.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.901 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.78 -53.92 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 74.24 111.108 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 11.9 mt -52.09 -42.87 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.919 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.64 -49.08 76.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.886 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -46.53 79.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.88 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.35 -54.43 31.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 75.32 110.953 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.2 -34.6 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.069 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 8.6 t -70.16 -36.36 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.33 110.847 -179.781 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 59.5 mt -72.27 149.19 44.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 72.4 110.921 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -104.74 71.15 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.43 110.925 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.05 127.61 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 54.23 111.135 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -90.18 173.76 7.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 73.21 111.149 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -47.01 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.857 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.31 -41.1 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 70.25 110.874 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.45 -35.58 65.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.936 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -67.53 -47.98 68.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.136 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -36.16 44.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.883 -179.908 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -83.43 -34.82 25.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 75.54 110.856 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -95.17 35.63 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 74.23 110.808 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.4 p -63.27 -34.99 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 63.35 111.177 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.02 -44.84 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 65.31 110.896 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 45.2 ttp -55.36 -39.36 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.837 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 4.2 mt -70.04 -43.17 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 72.42 111.113 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 5.9 m -54.2 -34.21 60.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 73.22 111.18 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 94.7 m -74.54 -34.34 62.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 72.14 111.129 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 30.2 mt -59.16 -35.85 74.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.928 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -76.11 -28.5 57.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.857 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -75.56 -35.6 60.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 73.14 110.876 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.446 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 35.2 pt -73.54 -1.72 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 75.44 111.11 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -33.73 43.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.862 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -20.03 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 75.44 110.907 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -39.95 119.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 75.04 110.886 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -174.33 135.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.903 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 10.2 p -61.58 128.86 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 53.33 111.16 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 25.2 t -64.8 171.65 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.825 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -34.11 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.905 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.1 p -53.31 -41.35 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.33 111.121 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 93.1 mt -73.62 -47.73 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.31 111.147 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 14.8 mtm -57.89 -33.95 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.03 110.898 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.67 -45.43 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.917 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -65.87 -35.45 80.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.869 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.5 p -58.06 -50.27 74.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.875 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 37.1 m -53.67 -44.94 70.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 73.02 111.163 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -50.55 -48.94 57.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 75.45 110.874 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 54.6 mt -74.38 -35.94 63.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.02 110.935 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -59.44 -57.02 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.948 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.17 -34.95 79.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.514 . . . . 73.14 110.889 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -57.44 -52.22 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.899 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -65.76 -35.94 82.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.915 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -53.96 35.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 75.43 110.889 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -56.05 -33.11 64.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 70.12 110.854 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 7.1 mtm -75.91 -26.9 57.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.861 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 65.35 110.875 -179.9 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.891 0.377 . . . . 65.44 110.876 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.5 tpt -53.07 -37.87 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 74.41 110.869 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 -35.09 67.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.911 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.92 -39.47 83.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.86 -179.761 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -34.81 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 71.24 110.917 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 24.9 mt -71.48 -47.68 53.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 64.05 110.909 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -57.89 -30.17 65.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 71.44 110.896 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -76.79 -41.5 44.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 73.31 110.875 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 16.1 mt -59.2 -41.47 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 75.43 111.147 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -71.95 -50.73 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.843 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.46 88.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.12 111.119 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -55.06 -42.37 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.87 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 37.2 mt -66.43 -34.59 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.45 111.136 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -58.41 -51.79 68.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.909 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -71.69 -33.75 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 75.2 110.893 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 6.6 p -73.91 -7.72 53.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.886 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 37.3 mt -115.09 26.4 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 70.21 110.888 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 170.47 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 75.01 110.901 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.41 -37.7 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.33 111.115 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -92.86 -31.7 14.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.865 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -109.3 36.57 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.906 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 19.8 tp -53.42 107.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 74.24 110.943 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.38 81.16 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.898 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 12.2 m -60.65 -27.29 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 64.02 111.112 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -51.83 -39.56 59.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.881 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -75.92 -35.55 59.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.898 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.7 t -54.42 -54.62 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.905 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -55.26 -50.04 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.42 111.152 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.81 -35.36 43.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 75.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.45 -52.96 9.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 73.15 111.077 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 11.9 mt -52.17 -41.37 62.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.21 110.975 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.61 -47.82 83.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.33 110.882 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -47.27 79.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.893 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.4 -54.54 30.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.964 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.89 -34.28 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 71.22 111.077 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 8.6 t -71.41 -36.32 71.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 63.33 110.829 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.9 mt -72.94 148.65 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 75.1 110.905 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -104.13 71.1 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 73.33 110.921 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.96 127.24 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 70.22 111.103 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -89.88 173.69 8.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.32 111.117 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -46.5 81.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.865 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -56.2 -41.72 76.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.946 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.19 -35.98 66.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.904 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.09 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 64.44 111.122 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -35.9 48.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.868 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -82.87 -35.29 26.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 71.25 110.904 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -95.17 35.58 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.89 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.4 p -62.79 -35.24 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 64.12 111.104 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.77 -44.58 81.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 75.43 110.888 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 43.6 ttp -55.34 -40.63 71.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.918 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 4.0 mt -68.58 -42.7 83.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 73.32 111.121 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 6.0 m -54.13 -35.6 62.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 75.14 111.126 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 97.0 m -73.68 -35.68 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.13 111.14 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 26.6 mt -57.8 -35.85 71.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.927 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -76.3 -28.62 57.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.911 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -75.44 -35.49 60.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.896 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.469 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 36.2 pt -73.36 -1.77 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 55.54 111.159 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -33.98 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 71.35 110.87 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.12 -19.95 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.902 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.469 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.05 118.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.845 -179.937 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -174.17 135.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 74.41 110.876 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.6 129.1 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.122 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 25.2 t -65.19 171.28 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 72.24 110.876 -179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.93 -34.24 66.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 73.54 110.917 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 5.1 p -53.19 -41.35 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 75.33 111.105 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 93.1 mt -73.56 -48.28 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.134 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 14.1 mtm -57.19 -34.28 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 75.13 110.842 179.886 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.91 -46.76 42.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 74.42 110.889 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -64.61 -37.98 89.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 74.54 110.926 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.9 p -55.89 -48.63 75.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 75.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 92.4 m -54.75 -47.09 74.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 71.42 111.121 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -48.93 -47.15 43.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 75.51 110.866 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 53.5 mt -75.86 -34.82 60.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.32 110.904 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -56.36 -64.14 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.94 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -62.41 -33.27 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 72.53 110.895 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -55.05 -46.49 75.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 72.32 110.927 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -75.35 -35.63 61.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 72.12 110.848 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -53.19 39.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.91 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -55.66 -33.39 64.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 62.42 110.893 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 7.7 mtm -75.88 -26.78 57.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.862 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.14 110.875 -179.897 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.873 0.368 . . . . 71.1 110.861 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 3.6 tpt -59.87 -40.23 87.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 71.15 110.831 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -73.83 -35.81 64.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 75.24 110.849 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 43.0 t -70.91 -38.72 72.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.897 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -74.75 -34.64 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.889 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.55 -47.24 56.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 73.52 110.909 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -57.52 -27.93 63.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.914 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -75.89 -36.35 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.862 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 29.2 mt -63.11 -37.83 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 73.14 111.112 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -71.96 -48.54 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.44 110.827 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.66 93.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 73.4 111.103 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -55.0 -47.01 75.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.911 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 40.5 mt -69.74 -33.72 57.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 73.32 111.128 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -52.0 63.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.35 110.866 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -73.75 -27.93 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 73.11 110.906 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.2 p -79.02 -2.85 42.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.881 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 39.9 mt -120.52 26.33 9.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 72.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -70.03 169.9 12.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.893 179.829 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.2 tp -83.93 -38.98 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 75.13 111.098 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.53 -29.77 15.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.25 110.866 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -111.03 37.11 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.901 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 20.0 tp -52.34 107.41 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 73.5 110.907 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -129.55 79.69 1.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 74.15 110.906 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 15.5 m -62.42 -26.51 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 73.32 111.165 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -51.58 -40.38 59.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 71.21 110.849 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -33.56 59.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.877 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 31.4 t -53.29 -61.17 2.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.905 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -53.51 -47.09 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 72.41 111.166 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.91 -36.47 49.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.93 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.96 -50.33 13.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.118 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 6.1 mt -51.96 -36.0 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 75.53 110.906 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.62 -46.62 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.857 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.61 -44.5 93.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.893 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.47 -51.78 57.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 75.32 110.925 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.09 -33.62 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 74.42 111.07 179.848 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.85 -36.47 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 74.33 110.851 -179.77 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.86 113.67 9.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 72.4 110.951 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -74.45 74.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.866 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.09 120.05 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 54.23 111.12 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.0 t -80.43 163.59 23.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 73.21 111.142 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -48.26 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.878 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -51.68 -52.66 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 70.25 110.864 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -37.85 88.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 71.44 110.93 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.47 -51.31 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.095 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -52.2 -36.08 50.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.914 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.36 -34.82 48.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 75.54 110.877 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -95.23 35.62 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.866 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.3 p -61.69 -35.44 78.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 63.35 111.168 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.84 -46.72 87.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 65.31 110.912 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 19.2 ttp -55.27 -40.69 71.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.888 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 8.5 mt -64.12 -46.6 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 72.42 111.132 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 1.7 m -55.28 -40.68 71.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 73.22 111.151 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 85.2 m -62.94 -38.61 91.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 72.14 111.131 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.01 -35.73 73.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 75.13 110.905 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -76.16 -29.02 57.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 75.05 110.894 179.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -75.04 -35.21 61.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.14 110.943 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.447 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 36.5 pt -74.11 -1.59 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.44 111.121 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -32.77 36.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 64.01 110.886 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.03 -20.39 7.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.936 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.447 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -41.58 119.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.903 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.87 135.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.904 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.8 p -55.78 138.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 53.33 111.136 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.4 t -68.82 175.37 3.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.865 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -77.2 -35.84 55.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.926 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.99 -38.63 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.33 111.148 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.42 -54.23 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.31 111.105 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 24.5 ptp -60.81 -32.85 72.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.03 110.897 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.44 -41.75 65.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.887 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -71.07 -39.1 72.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.884 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 59.1 p -54.91 -48.17 73.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.89 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 95.0 m -52.65 -46.72 67.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 73.02 111.135 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -52.26 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 75.45 110.866 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.37 -39.49 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 74.02 110.893 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -54.69 -51.86 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.889 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -69.8 -36.47 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.911 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -53.62 -47.39 70.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.885 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -70.89 -44.04 67.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 75.33 110.919 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -49.61 63.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 75.43 110.875 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.4 -34.05 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 70.12 110.847 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 15.9 mtm -85.87 -26.28 25.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.873 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 65.35 110.844 -179.916 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.886 0.374 . . . . 65.44 110.827 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 3.6 tpt -58.38 -40.31 81.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 74.41 110.86 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -73.21 -36.05 66.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.876 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 43.2 t -70.32 -39.52 74.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 73.54 110.867 -179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.54 -35.1 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 71.24 110.882 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.42 -47.92 52.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 64.05 110.962 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -58.22 -30.26 66.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.94 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -72.16 -36.61 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 73.31 110.85 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 19.0 mt -62.81 -40.35 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 75.43 111.113 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -67.83 -49.27 63.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.854 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.11 93.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 75.12 111.082 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -55.4 -46.08 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 74.45 110.892 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 40.7 mt -70.65 -33.79 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 73.45 111.124 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -55.59 -51.69 66.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.42 110.913 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -73.18 -26.59 61.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.926 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 3.2 p -82.1 -0.99 47.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 71.21 110.879 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 33.5 mt -121.34 26.35 8.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 70.21 110.911 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 170.74 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.891 179.853 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 6.1 tp -84.25 -39.3 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.139 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -92.85 -30.65 15.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 71.24 110.861 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -110.23 37.21 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.908 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 22.8 tp -52.36 107.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.914 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.41 80.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.899 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 15.4 m -63.05 -26.22 40.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 64.02 111.148 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -51.63 -40.44 59.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 75.41 110.906 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -33.46 60.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.853 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.34 -61.26 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.04 110.881 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -53.54 -46.19 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 73.42 111.121 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.93 -37.23 51.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.94 -49.19 16.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 73.15 111.08 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 6.1 mt -52.1 -35.45 47.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.891 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -66.51 -45.09 80.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.913 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -60.46 -45.53 93.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 71.12 110.879 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -52.34 54.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 72.31 110.901 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.39 -33.66 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 71.22 111.104 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -36.33 62.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 63.33 110.834 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.2 mt -72.39 113.9 9.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 75.1 110.939 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -74.29 74.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.922 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.9 119.96 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 70.22 111.104 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 12.8 t -79.27 163.32 25.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.139 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 14.3 tpt -53.11 -47.16 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.883 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -52.01 -52.1 52.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.911 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -35.98 82.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.939 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.64 -51.37 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 64.44 111.078 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.95 -36.12 59.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.943 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -35.44 51.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 71.25 110.864 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -95.25 35.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.873 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 4.2 p -61.6 -35.4 77.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 64.12 111.138 -179.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.68 -46.33 87.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.925 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 18.5 ttp -55.34 -41.61 72.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.869 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 7.5 mt -63.64 -46.09 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 73.32 111.089 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 1.7 m -55.5 -40.7 72.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 75.14 111.138 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.0 m -63.14 -39.3 94.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 73.13 111.167 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 18.6 mt -58.14 -35.81 72.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.909 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -76.18 -29.02 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.88 179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -75.05 -35.17 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.883 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.464 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 36.5 pt -74.11 -1.84 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 55.54 111.117 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -32.89 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 71.35 110.814 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.73 -20.35 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.874 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.5 OUTLIER -41.79 118.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.941 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.5 134.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.874 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 9.7 p -54.66 139.06 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 73.41 111.139 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.1 t -69.69 176.06 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 72.24 110.852 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -77.67 -35.89 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.54 110.924 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.18 -38.53 81.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 75.33 111.145 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.32 -54.09 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.43 111.142 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.1 ptp -60.84 -32.91 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.849 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.15 -42.42 65.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.928 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -70.4 -39.01 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 74.54 110.867 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 56.2 p -55.04 -48.21 73.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 75.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 95.8 m -52.83 -46.78 67.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 71.42 111.116 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -52.25 49.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.842 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.12 -40.24 86.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.932 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -54.0 -52.55 60.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 75.05 110.913 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -69.06 -36.54 77.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 72.53 110.896 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -53.64 -46.99 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.32 110.88 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.22 -43.99 66.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 72.12 110.894 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -49.79 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 74.04 110.865 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.46 -34.13 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 62.42 110.916 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 17.2 mtm -85.8 -25.44 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.908 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.14 110.915 -179.947 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.851 0.358 . . . . 71.1 110.846 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.8 ttt -53.0 -35.26 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 71.15 110.914 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.55 -48.1 35.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.24 110.873 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.02 -40.39 73.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.41 110.865 -179.753 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 6.1 ptm85 -75.5 -34.28 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 74.54 110.883 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -47.96 84.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.52 110.886 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -25.65 43.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.906 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -76.98 -34.91 57.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 75.43 110.88 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 73.3 mt -64.99 -42.22 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.14 111.13 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -71.86 -39.0 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 71.44 110.889 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.9 -45.89 66.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.4 111.086 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -54.98 -53.72 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.895 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 41.8 mt -54.24 -34.25 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 73.32 111.134 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.32 -45.46 94.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.941 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -75.78 -30.55 59.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.882 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.6 p -80.86 -1.21 42.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.911 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 35.2 mt -121.6 26.19 8.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 72.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -70.99 171.16 11.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.931 179.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.0 tp -84.34 -40.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 75.13 111.187 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -93.65 -30.65 14.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.865 179.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -109.8 36.26 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.913 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 23.1 tp -53.34 107.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 73.5 110.948 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -124.62 67.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.906 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 9.6 m -51.06 -30.97 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 73.32 111.139 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -52.27 -41.31 62.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.894 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -34.33 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.872 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 34.9 t -53.33 -46.07 69.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.866 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.7 mt -65.64 -48.44 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.41 111.129 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.79 -34.74 41.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.902 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.96 -53.52 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.084 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 44.7 mt -52.22 -42.76 63.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 75.53 110.904 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -34.91 76.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.837 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.16 -45.31 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.864 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.37 -34.88 74.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.903 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -74.72 -34.41 62.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 74.42 111.086 179.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 5.8 m -77.34 -33.97 55.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.882 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 23.2 mt -55.1 -35.07 64.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 72.4 110.878 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 60.15 49.21 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.864 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.64 140.62 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 54.23 111.161 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -85.94 174.35 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.21 111.149 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 10.6 tpt -62.16 -36.9 83.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 74.41 110.872 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -54.29 -51.56 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 70.25 110.89 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -74.27 -36.04 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 71.44 110.937 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.06 96.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 74.33 111.063 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -35.93 43.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 75.25 110.917 -179.901 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -73.03 -35.05 66.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 75.54 110.937 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -101.26 35.73 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.847 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.77 -34.85 63.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 63.35 111.148 -179.922 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.04 -38.22 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 65.31 110.894 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 36.2 ttp -55.3 -45.88 76.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 74.31 110.855 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 2.8 mp -62.03 -36.49 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.42 111.082 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 25.8 m -54.22 -36.73 63.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 73.22 111.09 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -73.61 -35.19 65.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 72.14 111.149 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.09 -36.28 74.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 75.13 110.929 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -29.26 57.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 75.05 110.847 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -75.4 -35.51 61.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.941 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.457 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 39.9 pt -73.38 -1.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.44 111.151 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -33.89 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 64.01 110.841 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.43 -20.08 7.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.91 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.457 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -42.89 113.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.891 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -175.67 133.65 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.897 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.18 144.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 53.33 111.086 179.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -85.54 156.46 20.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.834 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -51.99 -35.75 47.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.925 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.4 p -59.04 -39.8 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 73.33 111.117 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 78.6 mt -72.24 -49.55 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 74.31 111.112 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 18.8 mtm -61.55 -32.31 72.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 74.03 110.932 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.35 -53.19 13.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.858 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -59.54 -38.61 81.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.835 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.8 p -55.04 -49.55 71.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 72.43 110.895 -179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 87.4 m -55.52 -47.7 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 73.02 111.108 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 6.6 ttp -50.95 -44.97 60.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.45 110.907 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 90.2 mt -74.34 -40.45 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 74.02 110.912 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -57.94 -60.76 3.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.905 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.28 -35.1 71.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 73.14 110.885 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -56.94 -49.64 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.868 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -70.14 -37.15 75.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 75.33 110.884 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -60.77 -47.13 87.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.875 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -51.86 -34.95 43.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 70.12 110.866 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 67.0 mtm -85.86 -34.88 20.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 74.21 110.911 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.35 110.894 -179.982 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.896 0.379 . . . . 65.44 110.839 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.9 ttt -53.18 -36.46 60.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.41 110.87 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.88 -45.84 56.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 75.42 110.872 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -40.41 80.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 73.54 110.862 -179.77 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -75.16 -34.24 61.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 71.24 110.906 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -47.74 84.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 64.05 110.919 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -25.25 42.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.44 110.854 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -76.79 -35.74 57.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.906 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 70.8 mt -64.8 -42.66 95.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 75.43 111.174 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -70.76 -39.43 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.855 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.93 67.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.12 111.095 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.28 -53.16 59.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.855 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 38.1 mt -54.18 -35.34 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.45 111.137 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -62.99 -43.38 98.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 74.42 110.897 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -76.05 -29.24 57.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.891 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 6.7 p -84.33 -0.51 52.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.894 -179.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 33.4 mt -120.85 26.58 9.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 70.21 110.881 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 171.94 10.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 75.01 110.909 179.811 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.9 tp -84.71 -40.71 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.155 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -93.16 -31.52 14.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 71.24 110.872 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -108.7 36.22 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 75.13 110.916 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 22.7 tp -53.62 107.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.879 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -124.99 67.86 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.867 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 9.9 m -51.23 -30.44 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 64.02 111.111 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -52.19 -41.38 62.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 75.41 110.903 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -34.14 60.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 72.11 110.86 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 33.0 t -53.16 -47.1 69.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.861 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.7 mt -64.99 -47.59 87.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 73.42 111.128 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.9 -35.49 45.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.62 -53.84 7.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 73.15 111.09 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 44.6 mt -52.21 -42.66 63.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 73.21 110.891 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -35.02 76.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.852 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.55 -45.33 72.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 71.12 110.852 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.29 -35.67 74.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 72.31 110.898 -179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -74.07 -34.79 64.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 71.22 111.157 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 5.8 m -76.48 -34.06 58.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.33 110.849 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.31 -34.85 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 75.1 110.959 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 59.8 49.38 8.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 73.33 110.946 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.78 141.22 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 70.22 111.16 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -86.83 174.34 8.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 75.32 111.162 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 11.3 tpt -61.86 -38.24 87.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 75.31 110.86 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -52.17 -52.01 54.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 74.44 110.93 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -36.04 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 74.23 110.879 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.69 92.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 64.44 111.123 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -35.9 45.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.905 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -72.61 -35.58 67.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 71.25 110.909 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -101.12 35.66 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.898 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.74 -35.21 63.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 64.12 111.117 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.38 -38.15 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.871 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 35.5 ttp -55.4 -46.6 76.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.889 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 2.7 mp -61.11 -35.48 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.146 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.0 m -54.96 -37.54 66.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 75.14 111.142 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.4 m -72.59 -35.61 67.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.13 111.188 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 29.6 mt -58.5 -36.61 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 75.11 110.887 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -28.91 57.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.946 179.812 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -75.59 -35.36 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 72.14 110.907 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.469 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 39.9 pt -73.46 -1.7 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 55.54 111.124 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.15 -34.01 43.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.35 110.869 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -20.25 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.897 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.469 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.8 OUTLIER -42.68 113.45 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.912 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -175.65 133.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.919 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.3 m -51.95 145.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.41 111.161 179.829 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -86.28 156.36 20.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.863 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -51.76 -35.79 44.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.91 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.12 -40.18 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 75.33 111.102 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 77.7 mt -71.6 -50.41 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.147 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.7 mtm -60.89 -32.84 72.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 75.13 110.879 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.63 -53.44 13.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.847 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -59.41 -39.51 83.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.54 110.872 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 60.0 p -55.06 -48.33 73.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 75.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 90.4 m -55.38 -51.65 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 71.42 111.168 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 6.6 ttp -48.88 -43.71 39.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 75.51 110.916 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 86.4 mt -75.15 -34.91 61.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.913 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -60.48 -63.06 1.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.905 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -59.57 -31.4 69.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 72.53 110.902 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -56.26 -47.98 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 72.32 110.889 179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -75.75 -35.89 60.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 72.12 110.896 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -60.57 -47.7 85.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.04 110.9 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -51.49 -35.16 38.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 62.42 110.87 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 67.6 mtm -85.81 -33.73 21.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.891 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 75.14 110.84 -179.918 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.867 0.365 . . . . 71.1 110.896 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -36.16 60.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 71.15 110.821 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 75.24 110.865 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -37.47 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 64.41 110.909 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -74.99 -33.89 61.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 74.54 110.84 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 2.3 mp -71.19 -47.78 55.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.903 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -56.07 -30.37 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.894 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.44 -39.4 46.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.859 -179.895 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 22.8 mt -63.0 -37.07 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.14 111.114 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -72.07 -45.85 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 71.44 110.914 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.15 86.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 73.4 111.123 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.0 -41.68 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.869 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.9 -35.45 59.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.121 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -54.77 -48.74 72.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.902 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.62 -28.98 59.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.922 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.2 p -78.19 -3.08 40.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.51 110.878 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 55.6 mt -121.74 26.21 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 72.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 171.36 8.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.907 179.859 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.74 -41.94 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.163 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -91.43 -32.72 15.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.849 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -109.67 36.26 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.883 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.56 107.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 73.5 110.918 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -123.98 70.05 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.877 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 6.3 m -54.34 -29.52 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.32 111.132 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -52.08 -40.29 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 71.21 110.879 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.81 -34.48 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.865 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 38.0 t -53.36 -45.29 69.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 75.13 110.886 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -66.84 -37.67 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.41 111.147 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.39 -36.14 81.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.895 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.04 -53.8 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.147 179.897 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 15.9 mt -52.07 -43.72 63.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.905 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -62.97 -33.64 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.883 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.43 -49.07 65.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 72.41 110.89 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.65 -44.31 62.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 75.32 110.925 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.44 67.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 74.42 111.089 179.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.59 27.23 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.849 -179.729 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 17.4 mt -114.87 -32.42 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 72.4 110.901 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 49.56 48.54 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.925 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.16 148.17 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 54.23 111.133 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.0 t -80.23 175.21 10.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 73.21 111.112 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 10.6 tpt -69.6 -40.04 76.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.819 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -51.84 -49.2 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 70.25 110.89 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.04 -35.7 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 71.44 110.89 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.88 98.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.33 111.081 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -36.03 42.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 75.25 110.924 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -72.78 -34.31 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.944 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -95.4 35.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.899 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -34.66 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 63.35 111.148 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.7 -43.65 97.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 65.31 110.877 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 34.4 ttp -55.25 -43.69 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.895 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.4 mt -64.7 -45.07 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.42 111.094 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.16 -34.72 61.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.22 111.158 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 86.4 m -71.09 -34.94 71.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 72.14 111.111 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.61 -36.31 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.892 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -76.33 -28.84 57.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 75.05 110.917 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -75.08 -35.77 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.884 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 403' ' ' ILE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 36.4 pt -73.16 -2.02 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 75.44 111.126 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -34.13 49.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 64.01 110.884 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 -19.98 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 75.44 110.859 -179.907 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 406' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 1.0 OUTLIER -42.2 113.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.842 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -175.68 134.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.926 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 2.6 m -54.07 143.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 53.33 111.111 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 39.2 t -82.62 154.08 25.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.85 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -51.45 -34.49 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 74.23 110.945 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.1 p -59.0 -39.73 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.33 111.116 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 87.8 mt -72.9 -44.16 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.148 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 9.0 mtt -62.98 -33.34 75.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.03 110.925 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.19 -53.32 11.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.896 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -56.79 -40.12 75.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.891 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 73.0 p -55.06 -51.86 65.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.829 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 58.7 m -52.92 -50.04 64.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 73.02 111.148 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -44.02 47.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 75.45 110.841 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.41 -38.16 63.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 74.02 110.957 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.28 -60.12 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.942 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -56.68 -35.73 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.14 110.911 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -53.07 -53.72 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.931 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -71.56 -35.87 70.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.33 110.898 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -58.06 -53.97 52.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.883 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.36 -32.27 48.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 70.12 110.868 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 9.8 mtm -80.63 -27.45 37.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.871 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.912 -179.932 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.888 0.375 . . . . 65.44 110.898 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -36.79 61.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 74.41 110.871 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.63 -37.16 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.833 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -38.31 83.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.54 110.86 -179.782 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -74.33 -34.18 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.856 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.7 mp -71.08 -47.79 56.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 64.05 110.9 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.36 -30.08 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.928 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.18 -39.35 55.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.895 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 16.2 mt -63.61 -38.44 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 75.43 111.155 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -70.38 -46.38 64.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.889 179.836 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.87 84.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.12 111.104 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.98 -43.08 77.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.855 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 40.4 mt -69.8 -33.96 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 73.45 111.16 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -52.42 -51.96 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 74.42 110.893 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -75.16 -27.05 59.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.918 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -77.49 -4.07 43.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.894 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 57.5 mt -121.56 25.82 9.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 70.21 110.906 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 170.39 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.88 179.865 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 6.0 tp -84.73 -40.52 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 74.33 111.133 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -91.89 -32.55 15.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 71.24 110.871 179.842 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -110.63 36.26 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.918 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 16.3 tp -53.33 107.67 0.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.934 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -122.92 69.18 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.856 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 7.2 m -53.68 -30.06 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 64.02 111.146 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -52.14 -40.29 61.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 75.41 110.879 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.7 -34.5 60.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.11 110.87 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.32 -46.46 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 73.04 110.924 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -66.06 -36.61 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 73.42 111.162 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.21 -38.08 89.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.56 -52.59 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.15 111.124 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 16.4 mt -52.24 -42.04 63.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.896 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -62.96 -35.53 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.862 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.33 -50.04 71.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 71.12 110.88 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -52.91 -45.49 67.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 72.31 110.932 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.97 -33.79 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 71.22 111.084 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.73 -28.75 61.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 63.33 110.844 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.15 96.87 10.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 75.1 110.918 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.71 69.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 73.33 110.902 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 2.7 p -66.82 141.14 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 70.22 111.125 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -77.05 174.88 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.32 111.12 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 10.5 tpt -68.33 -40.23 81.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.866 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -51.92 -48.9 64.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.857 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -36.26 63.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.937 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.88 97.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 64.44 111.108 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -36.19 46.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 71.43 110.918 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -71.48 -34.78 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.89 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -95.27 35.62 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.855 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.05 -35.27 59.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 64.12 111.145 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.44 -42.14 91.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.822 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 27.7 ttp -55.26 -49.21 72.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.924 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 2.7 mp -58.53 -45.91 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.171 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.09 -36.13 62.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 75.14 111.173 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.1 m -70.54 -37.04 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.13 111.165 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.04 -35.23 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 75.11 110.943 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -76.89 -29.11 55.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.907 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -75.45 -35.08 60.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 72.14 110.905 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 403' ' ' ILE . . . . . 0.464 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 39.3 pt -73.3 -1.74 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 55.54 111.143 179.891 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -33.81 42.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 71.35 110.88 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.13 -20.01 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 73.43 110.901 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 406' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 1.1 t80 -41.98 112.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.51 110.903 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -175.05 134.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.918 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.8 m -55.01 141.47 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 73.41 111.132 179.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.5 t -81.05 155.59 26.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 72.24 110.853 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -52.55 -34.14 48.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 73.54 110.933 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -58.52 -39.98 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 75.33 111.138 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 85.7 mt -73.09 -46.55 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.43 111.143 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 9.0 mtt -62.1 -31.37 71.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.897 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.79 -51.51 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.912 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -59.87 -38.34 81.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.54 110.909 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.2 p -55.51 -51.93 65.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 75.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.6 m -53.67 -43.01 68.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.503 . . . . 71.42 111.141 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -50.44 63.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 75.51 110.871 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.9 -39.6 69.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 73.32 110.9 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -51.78 -62.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.958 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -57.32 -33.8 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 72.53 110.851 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -52.85 -52.01 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.89 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -72.62 -36.75 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 72.12 110.873 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -57.41 -54.25 48.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 74.04 110.869 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.06 -32.67 48.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 62.42 110.862 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 9.4 mtm -80.96 -27.69 35.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.921 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 75.14 110.892 -179.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.896 0.379 . . . . 74.34 110.854 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -163.9 134.9 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 73.04 110.912 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . 179.68 -169.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 75.14 111.125 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -172.48 49.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 74.12 111.12 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 52.5 p -78.08 -175.91 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 73.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -143.58 -61.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 71.32 110.881 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.8 122.16 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.144 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.85 -47.89 60.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 71.1 110.871 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.57 -37.69 63.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 71.15 110.884 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.73 -36.3 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.845 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.8 t -68.96 -38.91 79.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 64.41 110.839 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -74.83 -34.25 62.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 74.54 110.893 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.62 -47.57 62.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 73.52 110.885 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.29 -27.44 62.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 72.33 110.904 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -76.87 -39.56 50.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 75.43 110.885 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 30.2 mt -59.63 -38.7 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 73.14 111.142 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -72.1 -48.15 46.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.853 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.42 98.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 73.4 111.08 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -55.09 -46.52 75.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 64.34 110.91 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 43.7 mt -64.75 -33.4 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 73.32 111.107 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -63.01 -52.06 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.888 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -69.88 -30.22 67.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 73.11 110.942 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 13.6 p -75.67 -27.94 58.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 73.51 110.818 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 36.4 mt -94.38 26.84 3.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 72.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.47 170.4 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.876 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.29 -38.93 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 75.13 111.154 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -91.71 -32.67 15.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 72.25 110.869 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -106.57 36.4 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.881 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.65 107.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 73.5 110.903 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -134.13 76.64 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.882 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 11.6 m -51.34 -29.21 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.13 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -51.71 -37.93 52.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.875 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -35.89 59.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 74.44 110.837 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 7.9 t -54.76 -58.87 5.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.894 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.29 -40.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 72.41 111.148 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.61 -36.25 73.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.906 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.14 -53.88 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 74.24 111.099 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 17.4 mt -52.17 -35.45 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -63.22 -39.69 95.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.886 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -67.5 -50.0 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 72.41 110.903 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.93 -36.08 59.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 75.32 110.947 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -72.01 -40.27 68.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.42 111.13 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -35.76 74.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.831 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.0 135.76 57.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 72.4 110.93 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -92.64 56.24 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.957 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.89 136.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 54.23 111.109 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -100.45 172.84 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 73.21 111.12 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.2 tpt -55.23 -39.01 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.41 110.894 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -54.27 -52.66 60.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 70.25 110.948 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -72.99 -37.22 67.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.947 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.28 70.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 74.33 111.1 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -51.8 -36.03 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.95 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -75.85 -35.8 59.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 75.54 110.881 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -97.96 35.55 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 74.23 110.832 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 7.5 p -63.81 -34.53 78.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 63.35 111.159 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.24 -50.12 70.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 65.31 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 55.1 ttp -55.34 -35.19 64.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.91 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 49.9 mt -66.81 -35.38 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 72.42 111.126 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 2.7 m -59.88 -41.37 91.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.109 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.7 m -63.0 -40.09 96.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 72.14 111.162 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 15.6 mt -52.96 -35.02 58.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.898 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -76.4 -28.47 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 75.05 110.884 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -75.79 -35.47 60.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.916 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.477 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 35.7 pt -73.13 -1.65 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.44 111.147 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -34.54 43.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.848 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -18.26 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.863 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.477 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -41.12 119.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 75.04 110.867 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.17 135.75 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.863 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.2 134.4 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 53.33 111.17 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 31.1 t -70.65 173.48 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.872 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.76 -34.16 64.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.966 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.4 p -53.17 -41.1 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.33 111.149 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 93.8 mt -73.84 -48.3 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.31 111.133 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 19.5 mtm -56.7 -33.48 66.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.03 110.846 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -72.89 -52.97 12.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.899 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -58.64 -40.0 82.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.923 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 78.6 p -55.07 -49.9 70.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.829 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 85.8 m -55.09 -40.66 70.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 73.02 111.187 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 11.5 ttp -56.34 -49.35 74.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.45 110.896 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 53.6 mt -71.98 -37.39 69.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 74.02 110.943 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -62.74 -41.73 99.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.933 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.14 -45.27 57.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.14 110.844 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -53.66 -50.15 66.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.92 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -60.5 -40.43 91.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -58.13 -51.56 69.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.85 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.07 -35.38 47.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 70.12 110.916 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 34.9 mtm -73.76 -34.68 64.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.905 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -69.2 -36.37 77.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 65.35 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.4 pp -85.54 -34.87 21.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 74.43 110.937 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.9 t 59.55 85.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 74.14 111.133 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 67.54 141.27 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.772 -0.728 . . . . 40.42 112.456 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.05 134.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 75.51 110.905 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -67.4 88.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 64.41 112.493 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -53.19 134.1 39.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 72.32 110.85 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 28.3 p -143.33 84.02 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.87 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 8.4 t 67.1 117.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 75.31 111.099 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.36 128.42 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 70.31 111.083 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.33 -173.37 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.3 111.127 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.78 67.88 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.914 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 18.8 m -146.06 -173.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 73.03 111.153 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.2 162.19 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.96 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 25.5 m120 57.8 95.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 64.43 110.873 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.04 -36.65 19.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.11 110.855 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 6.0 t -54.71 -53.56 53.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 75.54 110.875 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 13.9 mt -73.8 -35.77 64.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 75.3 110.889 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.77 43.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 72.32 111.095 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.18 -52.95 61.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 72.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -36.18 61.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 75.35 110.92 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -59.18 -58.79 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.894 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -52.16 -36.45 51.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.915 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -64.97 -38.6 91.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.852 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -77.32 -55.9 5.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.894 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -36.27 53.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.843 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.69 -35.82 56.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.081 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.41 -43.02 15.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.14 110.87 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.48 176.2 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.887 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.6 m -148.97 92.57 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 60.34 111.148 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 5.3 pttm -60.12 -173.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 75.02 110.871 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 48.8 t0 63.29 90.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 75.11 110.879 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.11 166.37 10.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 72.43 110.926 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -152.12 160.43 28.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 70.4 112.486 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.27 -35.76 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 74.2 110.917 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 179.19 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 65.12 110.88 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -165.23 -70.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 75.31 112.485 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -47.34 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.629 2.219 . . . . 72.22 112.378 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 61.01 94.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.928 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.33 -62.19 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.878 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.12 110.903 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.893 0.378 . . . . 74.43 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -179.33 -170.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 75.44 110.886 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . 66.74 175.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.076 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -169.04 66.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.44 111.096 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 52.0 p -62.35 -169.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 71.4 110.833 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -135.57 -63.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.54 110.857 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.69 120.1 9.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 65.14 111.099 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.53 -48.93 53.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.841 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.25 -37.42 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.851 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.86 -35.03 64.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 75.42 110.848 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.8 t -69.68 -37.71 76.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 73.54 110.874 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -74.64 -34.48 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.917 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.85 -48.15 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.05 110.867 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -56.75 -29.47 62.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.44 110.913 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -75.65 -39.79 57.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.866 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 18.1 mt -59.98 -38.28 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.148 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -71.68 -45.15 62.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.891 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.07 95.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 75.12 111.065 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -55.28 -46.4 76.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.88 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.4 mt -64.21 -33.98 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 73.45 111.151 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -62.93 -52.13 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.92 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -69.67 -30.09 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.88 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 15.3 p -75.72 -28.41 58.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.846 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 38.1 mt -94.01 26.8 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 70.21 110.911 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.37 170.48 8.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 75.01 110.89 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.26 -38.77 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.33 111.147 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -91.91 -32.51 15.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.868 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -106.67 36.49 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.878 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 16.6 tp -56.55 107.78 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.897 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -134.88 76.25 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.871 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 12.2 m -51.36 -28.79 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 64.02 111.133 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -51.8 -37.9 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.41 110.914 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -35.62 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.856 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 8.2 t -54.65 -58.84 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.04 110.916 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.26 -39.53 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 73.42 111.116 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.4 -36.86 74.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.02 -53.79 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 73.15 111.104 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 17.2 mt -52.21 -35.78 50.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 73.21 110.93 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -64.93 -37.1 86.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.853 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.1 -50.14 56.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.883 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -55.68 -36.77 67.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.925 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.74 -35.82 77.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.079 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -35.17 59.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 63.33 110.835 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.6 136.93 58.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 75.1 110.969 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -93.93 56.48 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 73.33 110.905 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.95 137.54 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 70.22 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -100.44 172.93 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 75.32 111.147 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.12 -38.86 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 75.31 110.852 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -54.63 -51.63 64.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 74.44 110.915 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -73.84 -36.7 64.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.65 73.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 64.44 111.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -52.18 -36.13 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 71.43 110.942 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -75.21 -35.91 61.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.885 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -98.18 35.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 74.34 110.842 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 7.5 p -63.17 -34.85 78.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 64.12 111.159 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.38 -49.45 72.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.885 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 55.3 ttp -55.43 -35.84 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.43 110.885 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 52.8 mt -65.77 -35.38 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 73.32 111.146 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 2.8 m -59.79 -42.37 93.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 75.14 111.181 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 96.6 m -61.59 -40.63 95.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 73.13 111.129 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 15.7 mt -53.03 -35.15 59.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.93 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -76.32 -28.49 56.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 72.41 110.91 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -75.55 -35.76 60.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.924 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.488 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 35.6 pt -72.97 -1.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 55.54 111.154 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -34.82 45.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.892 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.13 -18.26 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.869 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.488 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -41.13 119.87 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 74.51 110.922 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.7 134.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.875 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 8.6 p -61.27 135.74 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 73.41 111.146 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 29.9 t -72.19 174.02 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 72.24 110.852 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.94 -34.27 64.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 73.54 110.91 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.31 -41.0 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 75.33 111.14 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 93.4 mt -73.75 -48.32 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 74.43 111.139 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 20.1 mtm -56.77 -33.25 66.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.902 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -72.75 -53.45 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -58.48 -40.04 81.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 74.54 110.854 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.2 p -54.98 -49.63 70.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 75.0 110.832 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 86.3 m -55.61 -40.39 72.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 71.42 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 11.6 ttp -56.7 -48.73 77.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 75.51 110.834 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 57.8 mt -72.57 -37.12 68.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 73.32 110.924 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -63.03 -41.82 99.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.05 110.898 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -45.34 58.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.53 110.887 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -53.4 -49.82 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.894 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -60.22 -42.2 94.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.932 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -56.49 -51.36 68.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 74.04 110.863 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -52.12 -35.76 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 62.42 110.872 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 34.5 mtm -73.79 -34.76 64.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.903 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -69.27 -36.58 77.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 75.14 110.915 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.3 pp -85.3 -35.1 21.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.898 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 96.9 t 59.66 86.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.44 111.129 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 68.4 142.22 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 71.44 112.451 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -179.35 130.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 72.42 110.866 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -77.19 68.38 2.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 64.44 112.466 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.82 131.68 35.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 74.12 110.86 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 28.0 p -143.52 35.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.858 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -169.64 90.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 75.42 111.135 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 2.1 mp -60.43 109.68 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 75.54 111.122 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -162.18 -172.52 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 73.35 111.13 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.87 70.0 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.9 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 19.4 m -146.2 -174.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 74.11 111.144 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.08 162.23 0.1 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.918 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 25.2 m120 58.06 95.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.875 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -36.82 18.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.869 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 6.0 t -54.83 -53.16 58.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 75.14 110.86 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.04 -35.95 64.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.914 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.62 43.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 72.51 111.097 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.25 -52.96 61.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 75.3 110.867 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -36.03 60.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 75.01 110.929 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -59.19 -58.76 7.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.911 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -52.25 -37.02 54.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 75.1 110.875 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -64.66 -38.3 90.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 73.34 110.843 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -77.6 -55.66 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.43 110.837 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.55 -36.14 55.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 72.12 110.906 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.58 -35.73 54.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.21 111.082 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.35 -42.88 15.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.897 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.4 176.25 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.913 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 2.6 m -149.26 92.21 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 74.41 111.141 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -59.89 -174.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 73.2 110.893 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 48.6 t0 63.25 91.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.877 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.57 166.05 10.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.883 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -151.89 160.29 28.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 71.53 112.511 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 -32.87 4.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.864 0.364 . . . . 75.14 110.91 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.72 179.83 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.901 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -166.35 -70.84 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 70.12 112.486 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.04 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.652 2.234 . . . . 74.05 112.357 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 61.38 94.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 71.54 110.886 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.19 -62.61 1.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 74.01 110.858 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.2 110.907 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.893 0.378 . . . . 74.34 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -141.3 154.47 45.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 73.04 110.94 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -85.88 94.36 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 75.14 111.095 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -120.67 -37.93 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.12 111.117 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 3.0 t 63.5 166.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 73.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.75 -175.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.828 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 11.9 p 50.33 33.79 8.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 73.11 111.19 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -36.0 69.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.1 110.872 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -39.78 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 71.15 110.925 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.85 -35.72 64.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.807 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -37.74 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.825 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -74.72 -33.93 62.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 74.54 110.929 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.7 -47.8 57.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.52 110.884 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -56.76 -29.36 62.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.908 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -77.23 -39.65 47.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.874 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 18.2 mt -62.22 -39.22 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.14 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -72.06 -41.56 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.44 110.856 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.02 79.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 73.4 111.085 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.13 -43.81 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 64.34 110.87 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 44.4 mt -64.62 -34.89 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 73.32 111.163 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -58.45 -47.28 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.875 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.75 -30.78 59.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 7.0 p -77.98 -3.08 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.51 110.857 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 50.4 mt -121.27 26.06 9.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 72.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 170.88 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.902 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.81 -41.11 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.13 111.125 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -91.97 -32.46 15.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.891 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.78 36.26 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.871 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.9 tp -53.52 107.79 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 73.5 110.895 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.99 68.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.846 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 9.8 m -52.15 -30.91 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.112 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -52.38 -41.44 63.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 71.21 110.822 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.6 -33.42 60.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.897 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 31.0 t -53.11 -47.24 68.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.13 110.952 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.45 -47.14 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 72.41 111.116 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.88 -35.08 43.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.855 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.37 -53.96 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 74.24 111.08 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.09 -39.28 63.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.53 110.916 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.22 -36.07 82.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.872 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.52 -45.68 68.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.892 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.32 -35.42 69.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.497 . . . . 75.32 110.893 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.91 74.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 74.42 111.08 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -36.55 73.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.827 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 64.9 mt -59.31 136.88 58.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 72.4 110.907 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -89.11 66.49 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.874 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.34 142.89 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 54.23 111.092 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.2 t -112.59 171.49 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 73.21 111.161 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 2.8 ttt -55.97 -36.62 68.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 74.41 110.865 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -55.06 -59.3 4.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 70.25 110.898 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -67.44 -37.86 83.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.942 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.38 -45.21 88.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.089 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.65 -36.09 44.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.93 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.1 -35.18 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 75.54 110.917 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -95.27 35.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.847 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 8.5 p -59.03 -34.62 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 63.35 111.148 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -55.37 -48.77 73.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 65.31 110.87 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 58.4 ttp -55.41 -38.01 68.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.884 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 41.9 mt -68.15 -35.68 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 72.42 111.148 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 6.9 m -60.51 -43.6 96.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 73.22 111.119 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 63.1 m -62.4 -39.4 93.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 72.14 111.136 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 55.6 mt -51.91 -37.94 54.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.926 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.3 -28.96 57.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 75.05 110.886 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -75.0 -35.52 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.14 110.9 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.454 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 36.8 pt -73.57 -1.73 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.145 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -33.58 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 64.01 110.842 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.28 -20.27 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.885 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.454 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.8 OUTLIER -42.9 113.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.877 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -175.4 134.0 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 74.21 110.905 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.66 145.43 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 53.33 111.144 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 35.5 t -86.59 156.61 19.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.856 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -52.09 -36.07 49.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.892 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -58.48 -40.0 77.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 73.33 111.112 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 81.9 mt -72.48 -49.87 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.141 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 8.5 mtt -60.77 -31.93 71.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 74.03 110.867 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -73.23 -52.92 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 73.25 110.932 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -58.89 -39.47 81.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.21 110.924 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 80.3 p -55.1 -50.95 67.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 72.43 110.806 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 40.3 m -52.72 -46.12 67.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 73.02 111.142 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 42.1 ttp -51.89 -52.19 51.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.45 110.867 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 40.1 mt -66.93 -43.38 83.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 74.02 110.92 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -53.19 -56.11 18.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.919 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -63.0 -35.66 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.897 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -53.29 -53.64 47.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 74.31 110.912 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -75.47 -36.89 60.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.89 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -55.56 -41.82 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 75.43 110.9 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -34.82 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 70.12 110.881 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 28.8 mtm -76.31 -34.43 59.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.854 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -74.11 -37.01 64.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 65.35 110.886 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.3 pp -84.25 -35.21 23.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.946 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 93.2 t 55.76 88.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.146 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 60.57 -96.55 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.799 -0.715 . . . . 40.42 112.491 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -157.79 102.11 1.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.936 0.398 . . . . 75.51 110.852 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -56.07 -77.95 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.759 . . . . 64.41 112.506 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -115.76 110.63 19.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 72.32 110.847 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.89 111.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.02 110.866 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 30.4 m -147.34 149.15 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 75.31 111.138 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.08 -32.85 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 70.31 111.122 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 31.0 p -62.24 177.75 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 73.3 111.161 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -61.28 119.46 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 73.44 110.865 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 7.6 t -116.03 50.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.087 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 2.0 mt -115.77 -36.09 4.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 73.43 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -146.56 161.39 40.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 64.43 110.885 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -114.74 -67.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 73.11 110.922 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -53.4 57.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.54 110.881 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.36 -36.04 82.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.3 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.04 -38.69 57.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 72.32 111.115 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.08 -58.86 6.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -65.81 -36.42 83.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 75.35 110.874 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -52.58 -38.14 59.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.847 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -52.45 63.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.904 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -47.94 56.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 75.51 110.819 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -52.24 -40.01 61.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 75.33 110.877 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.2 -37.02 80.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 75.21 110.887 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.93 -35.7 46.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 74.2 111.103 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.44 -37.18 86.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.87 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.86 -171.03 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 73.14 110.912 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.08 95.66 2.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 60.34 111.125 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -173.73 147.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.02 110.868 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -138.3 -176.24 4.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.889 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.06 -64.56 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 72.43 110.947 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 111.65 162.52 17.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.776 -0.726 . . . . 70.4 112.451 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -169.03 179.3 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 74.2 110.905 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.92 150.96 22.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 65.12 110.892 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -111.74 165.75 12.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 75.31 112.446 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -44.29 2.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 72.22 112.325 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 56.9 t30 63.67 70.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 63.41 110.895 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 65.95 169.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.883 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 73.12 110.904 179.88 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 42.0 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.879 0.371 . . . . 74.43 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -139.22 157.09 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.897 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -88.06 97.11 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.104 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -121.05 -45.81 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.092 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 2.9 t 51.95 77.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 71.4 110.851 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.66 163.14 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.857 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 14.9 p 49.79 43.83 24.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 65.14 111.172 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -34.42 78.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 65.44 110.812 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -38.07 61.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 74.41 110.875 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.49 -35.94 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.42 110.829 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -38.17 79.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 73.54 110.829 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.62 -35.78 62.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.831 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.52 -47.89 58.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 64.05 110.939 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -56.99 -29.36 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.894 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -76.3 -39.36 54.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.877 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 13.8 mt -62.54 -40.09 86.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.43 111.131 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -69.27 -39.71 78.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.88 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.6 -42.24 71.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 75.12 111.094 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.72 -43.14 76.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 74.45 110.849 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 44.3 mt -64.71 -35.19 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 73.45 111.086 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -58.34 -46.97 85.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.859 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.65 -30.98 59.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 75.2 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.0 p -78.07 -3.04 40.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.836 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 50.6 mt -121.39 26.05 9.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 70.21 110.937 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 171.23 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 75.01 110.881 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.9 tp -84.94 -40.74 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 74.33 111.134 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -92.57 -32.28 14.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.871 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.8 36.36 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.87 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 18.0 tp -53.68 107.71 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.919 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.43 68.94 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.844 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 10.2 m -51.91 -30.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 64.02 111.127 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -52.23 -41.19 62.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -75.8 -33.2 60.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.838 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 31.3 t -53.25 -47.94 68.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 73.04 110.889 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -64.54 -46.35 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 73.42 111.13 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.94 -35.83 47.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 75.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.01 -53.87 7.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.15 111.096 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 13.1 mt -52.37 -36.6 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.871 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.44 -36.12 82.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.86 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -49.89 57.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.92 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.26 -35.96 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 72.31 110.959 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.93 -42.8 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.22 111.081 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -36.26 77.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 63.33 110.826 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 65.2 mt -59.84 136.91 58.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 75.1 110.895 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -88.74 66.36 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.914 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.15 142.28 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 70.22 111.123 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -112.31 171.29 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 75.32 111.163 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 2.8 ttt -55.42 -37.12 67.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 75.31 110.839 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.72 -59.17 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 74.44 110.898 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -67.68 -37.59 82.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.94 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.04 88.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 64.44 111.086 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -52.19 -35.95 50.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.889 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -35.52 45.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 71.25 110.895 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -95.23 35.52 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.863 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 7.1 p -58.58 -34.89 71.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 64.12 111.12 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -55.35 -49.25 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.886 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.9 ttp -55.7 -35.79 66.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.903 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 22.9 mt -69.08 -36.45 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 73.32 111.123 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 7.3 m -61.51 -43.13 99.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.14 111.115 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 62.1 m -61.28 -41.13 96.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 73.13 111.146 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 25.8 mt -52.67 -36.14 56.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.891 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.68 -28.84 56.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.869 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -75.89 -35.29 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 72.14 110.928 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.458 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 40.3 pt -73.12 -1.76 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 55.54 111.152 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -33.82 44.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 71.35 110.884 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.69 -20.26 7.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.844 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.458 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.8 OUTLIER -42.65 113.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.885 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -175.67 134.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.922 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.63 144.74 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.101 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 35.9 t -85.81 156.66 20.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 72.24 110.802 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -51.98 -36.15 48.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 73.54 110.87 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.1 p -58.29 -40.18 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 75.33 111.144 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 81.9 mt -72.08 -50.09 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.43 111.144 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 8.6 mtt -60.47 -32.43 71.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.871 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -72.82 -52.76 13.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.902 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -58.73 -39.89 82.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.911 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.0 p -55.13 -50.47 69.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 75.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 36.2 m -52.87 -46.66 68.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 71.42 111.157 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 42.2 ttp -51.81 -52.18 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 75.51 110.891 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.65 -43.85 83.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.938 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -51.58 -57.84 7.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 75.05 110.958 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -60.53 -34.88 74.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 72.53 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -53.28 -53.71 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.925 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -74.02 -40.53 62.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 72.12 110.907 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -53.6 -44.02 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 74.04 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -35.93 79.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 62.42 110.868 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 29.0 mtm -76.56 -34.35 58.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -74.44 -36.6 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.888 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.3 pp -84.58 -35.63 22.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 73.43 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 94.0 t 55.49 89.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.115 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 60.52 -96.46 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 71.44 112.499 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -158.05 102.18 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 72.42 110.88 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -55.98 -77.29 0.16 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 64.44 112.475 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -116.31 110.17 18.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 74.12 110.851 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.72 110.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 72.34 110.879 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 30.9 m -146.58 153.13 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 75.42 111.125 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.26 -35.38 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 75.54 111.125 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 31.4 p -60.33 178.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 73.35 111.148 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -61.57 120.33 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 72.33 110.909 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 7.5 t -116.71 50.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.144 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 2.1 mt -115.54 -36.12 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.913 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -146.43 161.1 41.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 73.41 110.885 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -114.29 -67.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.929 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -53.28 59.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.14 110.863 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.51 -36.16 83.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 75.41 110.904 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.94 -38.78 57.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 72.51 111.105 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -56.05 -58.79 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 75.3 110.921 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -65.64 -36.51 83.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.01 110.917 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -52.55 -37.9 58.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.882 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -53.08 60.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.927 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -47.16 62.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.887 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -52.48 -40.89 62.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.847 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -36.54 80.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.878 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.09 -36.09 49.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.21 111.102 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.48 -37.06 85.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.42 110.903 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.76 -170.78 1.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 73.23 110.951 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.27 95.58 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 74.41 111.12 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -173.77 147.14 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.926 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -138.05 -176.14 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 72.44 110.841 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.16 -64.6 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.914 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 110.48 162.33 18.42 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 71.53 112.524 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -168.75 178.53 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.786 0.327 . . . . 75.14 110.961 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.14 146.75 26.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 74.52 110.893 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -110.39 167.57 12.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 70.12 112.455 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -48.14 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.669 2.246 . . . . 74.05 112.339 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 57.2 t30 51.67 48.19 23.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.54 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 179.58 -178.99 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 74.01 110.892 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.892 179.886 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.868 0.366 . . . . 74.34 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 3.0 t30 179.71 160.58 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 73.04 110.896 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -95.36 58.34 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.14 111.094 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -112.06 176.72 4.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.101 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.76 -58.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.892 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.3 168.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 71.32 110.895 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.32 155.79 20.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.11 111.149 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 88.3 p -65.74 -40.52 92.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 71.1 110.822 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.5 tpt -61.4 -40.98 96.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 71.15 110.866 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -35.69 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 75.24 110.862 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -38.79 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.886 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -74.65 -34.17 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.863 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.51 -47.42 55.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 73.52 110.91 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.05 -28.3 62.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 72.33 110.933 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -74.66 -35.56 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 75.43 110.875 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 32.8 mt -63.26 -41.09 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.164 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -71.85 -40.91 68.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 71.44 110.889 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.93 -44.96 75.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 73.4 111.099 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -55.12 -48.19 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 64.34 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 43.3 mt -61.68 -35.19 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.11 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -59.35 -46.19 89.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.907 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -75.8 -30.4 59.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.922 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -80.15 -1.16 39.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 73.51 110.867 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 38.4 mt -121.84 26.16 8.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 72.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.54 170.09 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.89 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.0 tp -84.71 -39.74 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 75.13 111.141 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -91.75 -32.28 15.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 72.25 110.876 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -111.84 36.64 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.872 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 17.2 tp -53.24 107.92 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 73.5 110.892 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -123.98 69.29 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.15 110.897 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 7.5 m -52.28 -29.1 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 73.32 111.105 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -52.03 -43.12 63.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.89 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -75.02 -33.69 61.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.838 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 37.4 t -53.33 -42.04 66.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.888 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -70.3 -47.61 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.41 111.133 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -51.63 -35.36 41.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.866 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -74.83 -52.39 11.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.098 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 10.5 mt -52.08 -36.07 49.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.53 110.969 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.6 -42.32 91.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.837 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -45.94 90.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 72.41 110.906 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -52.48 53.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 75.32 110.922 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.49 -30.67 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.103 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.53 -35.22 60.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.862 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.21 108.64 4.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 72.4 110.925 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.54 59.93 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.876 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 5.8 p -67.2 137.57 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 54.23 111.166 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -92.19 171.64 8.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.21 111.115 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -38.35 63.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 74.41 110.83 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -52.09 -58.3 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 70.25 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.29 -35.76 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.912 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.39 -51.25 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.121 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -51.92 -38.49 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -71.72 -34.77 69.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.54 110.893 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -95.2 35.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.803 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -38.11 85.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 63.35 111.116 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.48 -43.68 75.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 65.31 110.862 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 29.8 ttp -57.35 -48.61 78.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.864 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 5.2 mt -57.43 -38.08 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 72.42 111.15 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -41.63 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 73.22 111.18 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.8 m -63.94 -37.47 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 72.14 111.116 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 27.0 mt -57.18 -35.58 69.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 75.13 110.922 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -77.17 -28.97 54.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 75.05 110.912 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -75.94 -34.22 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.882 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.468 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 41.1 pt -74.19 -1.7 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 75.44 111.141 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -34.02 37.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.875 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.19 -20.22 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.874 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.468 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -42.04 114.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.906 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.68 130.01 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.952 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 2.9 m -54.49 141.84 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 53.33 111.079 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 41.2 t -80.57 159.35 25.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.89 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.15 -35.62 67.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.5 p -56.24 -40.07 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 73.33 111.141 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 83.5 mt -72.54 -50.5 34.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.31 111.107 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.6 mtm -59.34 -32.69 70.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.03 110.857 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.04 -52.94 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 73.25 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -58.78 -39.81 82.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 75.21 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 80.9 p -55.07 -50.96 67.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.839 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 51.7 m -53.7 -43.81 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 73.02 111.12 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.6 ttp -53.61 -50.51 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 75.45 110.883 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.93 -40.17 75.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 74.02 110.891 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -53.12 -51.24 62.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.941 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -70.06 -35.85 74.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 73.14 110.941 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -53.95 -53.36 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.924 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -67.71 -37.07 81.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -45.63 80.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.894 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -51.86 -36.91 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 70.12 110.889 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 33.4 mtm -79.11 -35.22 42.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.923 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -68.22 -35.94 78.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 65.35 110.888 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.4 pp -83.58 -35.02 25.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.864 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 97.5 t 59.88 87.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 74.14 111.104 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -159.3 -162.21 11.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 40.42 112.509 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -149.75 93.44 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 75.51 110.905 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -136.94 125.65 3.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 64.41 112.496 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -80.62 -38.4 29.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 72.32 110.904 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.4 p -80.37 160.63 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.866 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 10.4 m -128.87 141.17 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 75.31 111.153 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 1.1 pp -127.92 179.52 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 70.31 111.146 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.3 m -110.6 114.71 28.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.3 111.156 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.92 -170.13 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.915 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.88 125.3 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 73.03 111.147 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 11.0 mp -107.56 -35.51 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.915 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -51.73 150.86 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 64.43 110.883 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.11 -66.81 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.909 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.21 -54.96 12.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 75.54 110.837 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.71 -34.06 77.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 75.3 110.909 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.98 -33.87 26.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 72.32 111.076 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -54.93 -60.8 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 72.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.27 -47.51 49.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 75.35 110.89 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -35.68 44.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 73.33 110.882 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -51.54 -35.81 42.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.911 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.92 -35.87 57.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.852 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -58.54 3.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 75.33 110.862 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -51.64 -35.26 41.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 75.21 110.927 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.21 -35.54 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.2 111.097 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -62.84 -35.26 79.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.923 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 63.71 159.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.14 110.892 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.33 -42.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 60.34 111.129 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.74 86.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.02 110.896 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -70.76 -176.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.869 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -165.2 -179.51 5.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 72.43 110.96 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 150.8 -150.31 22.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.679 -0.772 . . . . 70.4 112.461 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.6 108.33 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 74.2 110.893 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.05 174.25 5.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 65.12 110.88 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -100.36 -172.42 29.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 75.31 112.516 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.03 69.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 72.22 112.347 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -146.04 -169.42 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 63.41 110.879 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.02 83.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.938 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.901 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.9 0.381 . . . . 74.43 110.9 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 2.9 t30 65.56 155.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 75.44 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -108.16 62.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.23 111.115 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -103.87 176.99 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.44 111.125 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.17 -57.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 71.4 110.844 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.55 168.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.887 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.63 154.91 22.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 65.14 111.143 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 88.3 p -65.69 -41.73 92.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 65.44 110.907 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.5 tpt -59.97 -40.64 89.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 74.41 110.863 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.21 -36.18 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.867 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -39.55 74.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 73.54 110.886 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -74.58 -34.43 62.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 71.24 110.829 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 12.3 mt -71.47 -47.79 53.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 64.05 110.919 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -57.96 -29.94 65.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 71.44 110.899 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -72.18 -35.91 69.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 73.31 110.869 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 21.3 mt -63.54 -41.37 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.43 111.121 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -70.45 -40.67 73.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 74.23 110.878 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.37 73.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 75.12 111.113 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -55.24 -47.25 75.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 41.7 mt -61.97 -35.53 68.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 73.45 111.118 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -58.52 -46.42 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.913 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.62 -30.77 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.2 110.875 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -78.92 -2.75 41.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.867 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 47.8 mt -121.52 26.21 8.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 70.21 110.88 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -70.98 170.97 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 75.01 110.894 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.4 tp -84.4 -41.53 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.33 111.115 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -91.56 -31.54 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 71.24 110.884 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.61 36.14 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.872 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 18.9 tp -53.6 107.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.24 110.928 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -125.51 69.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 74.12 110.819 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 7.8 m -52.64 -28.59 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 64.02 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -51.91 -43.01 63.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -75.16 -33.31 61.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.892 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 37.2 t -53.18 -43.48 67.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 73.04 110.87 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -68.81 -46.68 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 73.42 111.096 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -51.81 -35.78 45.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -74.65 -51.84 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.15 111.123 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 10.4 mt -52.13 -36.12 50.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.892 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.97 -41.27 91.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.872 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -46.79 86.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 71.12 110.88 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.47 -52.76 52.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.35 -30.71 60.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 71.22 111.114 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -35.1 60.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 63.33 110.829 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.98 109.07 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 75.1 110.915 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.61 60.07 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.915 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 5.9 p -67.13 137.48 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 70.22 111.134 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -91.99 171.84 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 75.32 111.115 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -38.36 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.31 110.877 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -51.96 -58.12 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 74.44 110.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.41 -36.07 71.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.877 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.08 -51.28 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 64.44 111.079 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -52.28 -36.66 53.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 71.43 110.908 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -72.67 -35.28 67.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 71.25 110.9 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -95.34 35.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -38.49 85.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 64.12 111.149 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.38 -42.28 73.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 28.3 ttp -58.31 -49.66 76.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.43 110.834 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 5.2 mt -56.7 -38.05 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 73.32 111.122 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -40.32 85.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.14 111.143 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -65.6 -35.86 82.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 73.13 111.162 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.42 -36.13 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.892 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -28.86 56.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.879 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -74.91 -35.25 62.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.869 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.494 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 34.7 pt -73.77 -1.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 55.54 111.143 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -34.76 50.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 71.35 110.876 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.96 -19.03 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.894 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 1.7 t80 -42.71 114.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.86 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.28 134.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.881 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.1 m -51.21 155.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 73.41 111.162 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.3 t -96.65 156.14 16.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.892 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -51.6 -35.41 41.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.54 110.934 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -59.58 -39.81 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 75.33 111.128 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 82.6 mt -72.38 -52.17 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 74.43 111.125 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.5 mtm -58.8 -31.16 68.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.837 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.17 -53.36 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.913 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -58.57 -39.11 79.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.856 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.4 p -55.09 -51.99 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 75.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 44.9 m -52.6 -44.63 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 71.42 111.114 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.6 ttp -53.23 -50.33 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 75.51 110.852 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.05 -42.47 76.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 73.32 110.924 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -51.81 -52.0 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.947 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -68.63 -36.01 78.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.913 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -54.38 -53.49 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 72.32 110.86 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -67.56 -36.24 80.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 72.12 110.847 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -45.52 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 74.04 110.89 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -51.85 -36.71 49.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 62.42 110.837 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 33.6 mtm -79.45 -35.2 40.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.889 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -68.25 -36.01 78.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 75.14 110.841 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.4 pp -83.41 -35.1 25.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.929 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 97.2 t 59.77 86.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.104 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -159.07 -162.15 11.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 71.44 112.531 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -149.63 93.38 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 72.42 110.925 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -136.86 125.6 3.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 64.44 112.495 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -80.63 -38.24 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 74.12 110.873 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 3.4 p -80.51 160.64 25.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.847 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 3.3 p -128.96 141.32 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 75.42 111.132 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 1.1 pp -128.02 179.4 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.54 111.113 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 1.3 m -110.55 114.73 28.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.35 111.158 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.9 -170.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.927 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.45 125.04 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.101 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -107.16 -35.94 6.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 73.25 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -51.85 150.95 3.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.855 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.2 -66.38 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.91 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.66 -54.91 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.855 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.73 -34.56 78.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 75.41 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.69 -34.25 25.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.51 111.095 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.31 -59.51 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 75.3 110.897 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.39 -49.15 35.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.905 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -35.23 35.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.02 110.875 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -51.71 -35.49 43.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 75.1 110.952 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.55 -38.08 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 73.34 110.838 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -56.55 8.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.865 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -51.91 -34.9 43.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.911 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.11 -35.75 36.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.21 111.082 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -61.07 -35.36 76.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.894 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.84 154.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.897 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.95 49.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 74.41 111.175 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.73 105.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 73.2 110.911 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -70.58 -172.83 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 72.44 110.929 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -164.39 -178.34 5.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 75.14 110.932 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 152.04 -150.35 22.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 71.53 112.465 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.86 106.34 2.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.346 . . . . 75.14 110.944 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.95 170.62 7.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 74.52 110.896 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -98.37 166.4 21.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.759 . . . . 70.12 112.453 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 134.68 28.44 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.651 2.234 . . . . 74.05 112.346 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -154.03 126.17 7.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 71.54 110.912 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.46 36.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.01 110.902 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 74.2 110.914 179.831 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.909 0.385 . . . . 74.34 110.835 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.25 107.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 73.04 110.932 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -54.73 127.65 29.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 75.14 111.097 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -95.02 35.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 74.12 111.114 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 67.8 m -133.18 -177.8 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 73.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.78 -78.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 71.32 110.866 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 9.4 t -76.21 -34.66 59.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 73.11 111.16 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 29.4 t -52.68 -36.02 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 71.1 110.846 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -38.62 62.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 71.15 110.842 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.74 -36.09 65.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.41 . . . . 75.24 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 31.4 t -69.21 -38.68 78.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.85 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -74.69 -34.13 62.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 74.54 110.848 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.1 -47.24 59.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.936 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.19 -28.49 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.935 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -76.9 -36.81 56.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.847 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 21.7 mt -65.29 -40.3 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 73.14 111.119 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -71.78 -38.33 70.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.44 110.87 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.39 64.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 73.4 111.081 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -54.62 -38.28 66.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 64.34 110.905 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 33.5 mt -75.14 -31.13 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.14 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -61.09 -52.84 63.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 71.35 110.896 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -72.93 -34.19 66.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 73.11 110.869 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.9 m -71.49 -10.66 60.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.827 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 31.5 mt -110.83 26.18 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 72.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.33 171.63 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.886 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.4 tp -84.51 -38.54 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 75.13 111.116 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -92.72 -32.62 14.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 72.25 110.853 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -106.24 36.05 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.894 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 18.3 tp -53.96 107.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 73.5 110.887 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.98 79.59 1.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.832 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 9.1 m -60.8 -27.49 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.32 111.149 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -51.87 -40.17 60.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.21 110.846 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -75.91 -34.86 59.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.907 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 25.5 t -53.23 -56.11 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.879 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.6 -49.78 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 72.41 111.144 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.72 -34.91 41.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 74.11 110.869 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.43 -51.68 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.24 111.138 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.28 -41.36 62.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.873 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.89 -49.1 79.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.832 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -46.3 79.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 72.41 110.917 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.36 -54.26 34.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 75.32 110.912 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.17 -33.99 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.088 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.1 m -71.51 -36.87 71.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.863 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 60.9 mt -69.09 117.53 10.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 72.4 110.898 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.17 71.22 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.914 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -82.52 144.02 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 54.23 111.135 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -100.0 173.94 6.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 73.21 111.155 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 1.9 ttt -57.55 -39.39 76.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.41 110.915 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -52.0 -59.16 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 70.25 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -63.9 -35.68 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.29 92.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 74.33 111.065 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.67 -36.06 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.959 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -77.57 -34.35 53.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.91 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -95.12 35.66 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.866 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -35.32 73.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 63.35 111.176 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.99 -41.88 98.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.863 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 36.7 ttp -55.25 -37.32 67.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.856 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 4.4 mt -69.95 -44.1 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 72.42 111.149 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 95.6 m -54.09 -35.44 62.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.22 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.2 m -71.85 -38.56 70.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 72.14 111.118 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 31.8 mt -57.92 -36.18 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 75.13 110.936 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.49 -28.82 56.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 75.05 110.892 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -75.13 -35.15 61.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 73.14 110.897 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.476 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 35.6 pt -73.71 -2.03 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 75.44 111.142 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -33.85 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 64.01 110.912 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.11 -19.53 7.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.893 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.476 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -40.1 120.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 75.04 110.884 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.4 135.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.878 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.43 126.33 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 53.33 111.148 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 1.5 m -61.57 170.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.848 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -72.83 -33.88 66.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 74.23 110.906 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.2 p -53.02 -41.03 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 73.33 111.143 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 61.1 mt -73.82 -47.41 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.31 111.113 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 34.3 mtm -58.56 -34.66 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.03 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -42.5 58.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.903 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -68.35 -35.57 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.897 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 84.0 p -58.39 -49.66 76.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 72.43 110.923 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 95.0 m -53.67 -44.33 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 73.02 111.149 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.2 tpt -51.3 -49.31 61.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 75.45 110.893 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 56.1 mt -73.41 -38.48 65.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 74.02 110.951 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -53.76 -60.03 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.923 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -59.63 -34.73 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.838 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -53.22 -53.61 48.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.905 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -73.88 -37.16 64.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.87 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -57.73 -44.0 85.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.898 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.16 -37.02 76.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 70.12 110.923 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 16.4 mtm -78.59 -34.82 46.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.872 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.19 -36.08 71.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.863 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 3.9 pp -87.62 -35.39 18.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 74.43 110.926 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 97.0 t 58.54 84.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.141 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -155.05 -113.32 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 40.42 112.48 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.68 113.72 2.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 75.51 110.836 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 159.85 61.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 64.41 112.476 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -66.16 -39.24 89.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 72.32 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.59 90.3 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.869 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 21.6 m -147.93 151.12 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 75.31 111.132 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.0 pp -138.72 138.19 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 70.31 111.139 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 93.5 m 52.38 86.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.3 111.121 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.29 122.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.903 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 21.8 t -80.2 115.56 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.03 111.146 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -111.93 -35.9 5.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.937 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.87 164.52 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.897 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.07 -49.16 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 73.11 110.911 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.53 -46.12 34.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 75.54 110.898 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.34 -34.74 63.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 75.3 110.892 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -53.34 -57.04 11.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 72.32 111.116 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -56.39 -40.36 74.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 72.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -65.86 -35.78 81.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 75.35 110.916 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -35.72 67.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.93 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -35.87 46.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 74.13 110.878 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.15 -50.0 57.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.818 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.87 -59.31 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 75.33 110.873 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.79 -36.32 47.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.84 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.35 -41.5 63.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 74.2 111.064 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -67.5 -36.83 81.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.14 110.91 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.91 165.56 17.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.906 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.4 t -178.49 139.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 60.34 111.113 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -168.71 61.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 75.02 110.914 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.89 -55.2 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 75.11 110.845 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.98 172.4 7.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 72.43 110.864 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -103.64 -116.15 4.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 70.4 112.463 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt 53.08 68.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 74.2 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.15 -44.24 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 65.12 110.931 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 109.19 173.03 21.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 75.31 112.459 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 96.23 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 72.22 112.301 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 14.9 t30 61.27 89.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 63.41 110.889 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.31 -51.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.917 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 73.12 110.922 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.896 0.379 . . . . 74.43 110.831 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.36 107.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.44 110.921 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -59.1 110.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 74.23 111.118 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -109.89 66.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 75.44 111.095 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 65.2 m -133.56 -75.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 71.4 110.894 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 74.54 110.872 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 7.7 t -55.38 -36.94 66.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 65.14 111.081 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 30.1 t -51.61 -35.81 43.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 65.44 110.834 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -38.49 66.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.41 110.882 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.29 -38.27 65.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 75.42 110.848 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 32.3 t -66.82 -39.24 87.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 73.54 110.847 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -74.36 -34.49 63.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 71.24 110.841 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 20.4 mt -71.44 -47.79 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 64.05 110.897 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -57.98 -29.72 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 71.44 110.919 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -74.71 -37.54 62.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 73.31 110.833 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 14.2 mt -65.2 -39.15 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.43 111.111 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -70.82 -39.7 72.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.23 110.879 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.09 -41.48 67.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 75.12 111.056 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.25 -40.72 71.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.874 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 46.7 mt -73.54 -34.64 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 73.45 111.104 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -58.24 -52.16 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.886 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -74.04 -31.4 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 75.2 110.878 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 40.0 m -73.55 -13.64 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.847 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 40.0 mt -107.65 26.62 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 70.21 110.927 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 170.64 7.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.915 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.0 tp -84.5 -38.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.33 111.155 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -92.03 -33.65 14.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 71.24 110.893 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -106.11 36.47 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 75.13 110.898 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 18.2 tp -53.79 107.29 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.949 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.12 80.06 1.89 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.85 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 12.0 m -60.16 -27.17 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 64.02 111.175 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -51.64 -39.69 58.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.41 110.886 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -75.94 -35.2 59.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 72.11 110.823 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.47 -56.59 15.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 73.04 110.839 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.51 -49.13 56.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 73.42 111.124 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.65 -35.15 41.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 75.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.26 -50.98 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 73.15 111.106 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.1 -38.99 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.894 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.85 -47.53 84.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.84 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -47.38 78.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.884 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.45 -54.71 28.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 72.31 110.949 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.29 -34.62 66.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.153 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.1 m -72.47 -36.08 68.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 63.33 110.839 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.03 118.03 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 75.1 110.893 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.66 71.38 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.911 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -82.5 144.14 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 70.22 111.11 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -99.58 173.91 6.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 75.32 111.128 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 1.8 ttt -58.03 -39.71 79.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.915 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -51.97 -59.2 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.917 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -63.46 -35.7 81.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.895 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.36 -42.98 92.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 64.44 111.106 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -51.66 -35.66 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 71.43 110.91 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -77.62 -34.91 53.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 71.25 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -95.17 35.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 74.34 110.878 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -35.28 73.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 64.12 111.143 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.81 -41.37 97.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.43 110.916 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 34.7 ttp -55.37 -37.81 68.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 75.43 110.922 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 4.3 mt -69.97 -42.58 79.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 73.32 111.16 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 95.9 m -54.12 -35.76 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 75.14 111.144 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 90.5 m -72.37 -40.27 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 73.13 111.167 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 46.3 mt -54.62 -37.69 65.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.927 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.03 -28.92 57.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.909 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -74.63 -35.93 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 72.14 110.881 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.476 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 34.8 pt -73.42 -1.69 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 55.54 111.131 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -34.19 45.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 71.35 110.875 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.07 -20.15 6.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.836 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.476 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.08 120.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.857 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -176.61 134.09 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 74.41 110.895 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.27 126.85 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 73.41 111.103 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 1.9 m -62.49 171.15 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 72.24 110.883 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -73.14 -33.2 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.919 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.83 -42.18 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 75.33 111.108 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 40.9 mt -73.75 -45.63 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.092 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 34.0 mtm -59.11 -34.4 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.879 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -42.29 54.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.868 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -68.11 -35.21 77.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.54 110.918 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.9 p -58.59 -50.77 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 75.0 110.825 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 94.6 m -52.73 -44.36 66.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 71.42 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -51.49 -48.6 62.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.877 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 54.5 mt -74.29 -36.57 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 73.32 110.857 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -56.94 -58.0 10.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 75.05 110.913 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -62.32 -35.33 78.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.53 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -53.2 -53.31 52.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.912 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -75.38 -35.85 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 72.12 110.89 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -57.48 -43.85 84.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 74.04 110.856 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.39 -35.79 74.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 62.42 110.874 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 16.4 mtm -77.85 -35.2 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.904 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -71.29 -35.95 71.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.916 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 3.9 pp -87.47 -34.99 18.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 73.43 110.901 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 98.6 t 58.13 84.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.148 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -155.38 -113.54 0.46 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.729 -0.748 . . . . 71.44 112.475 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.67 113.57 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 72.42 110.867 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 159.82 61.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 64.44 112.482 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -65.98 -39.31 90.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 74.12 110.864 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.53 90.37 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.867 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 21.8 m -147.85 151.0 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 75.42 111.113 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 2.0 pp -138.6 138.2 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 75.54 111.147 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 93.8 m 52.2 86.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 73.35 111.136 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.67 121.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.914 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 21.8 t -79.97 115.3 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 74.11 111.141 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -111.66 -35.91 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 73.25 110.926 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.9 164.03 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.88 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.0 -48.14 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.933 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.42 -46.42 27.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 75.14 110.858 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -34.49 63.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.495 . . . . 75.41 110.952 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -53.4 -56.94 12.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.51 111.129 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -56.88 -40.46 76.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -65.63 -35.61 81.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 75.01 110.905 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -35.79 66.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.02 110.872 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.67 -35.48 42.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.1 110.916 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -52.34 43.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.839 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.72 -57.59 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.909 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -36.42 47.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.897 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -53.83 -40.82 66.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 74.21 111.078 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -67.26 -37.05 82.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.864 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.67 165.49 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.927 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 2.5 t -178.51 139.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 74.41 111.207 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -168.77 61.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.908 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.0 -54.87 3.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.9 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.23 172.36 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.14 110.933 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -103.69 -116.23 4.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 71.53 112.463 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt 53.27 68.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 75.14 110.889 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.25 -44.41 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 74.52 110.86 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 109.3 173.01 20.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.689 -0.767 . . . . 70.12 112.476 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 96.35 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 74.05 112.33 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 15.0 t30 61.22 89.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.54 110.894 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 -51.11 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.01 110.888 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 74.2 110.882 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.928 0.394 . . . . 74.34 110.837 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -93.6 -174.84 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 73.04 110.871 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -173.0 -47.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 75.14 111.09 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . 63.63 -179.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 74.12 111.097 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.81 -57.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 73.0 110.85 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.92 179.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 71.32 110.884 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.22 168.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 73.11 111.163 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.5 p -69.45 -56.17 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 71.1 110.891 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.7 tpt -54.09 -41.22 68.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 71.15 110.87 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.04 -35.42 66.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.865 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 48.4 t -68.91 -39.21 79.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.854 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.77 -33.52 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.846 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.37 -47.33 56.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.52 110.914 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.82 -27.64 60.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.959 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -76.77 -37.87 55.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.818 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 30.9 mt -61.1 -42.98 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 73.14 111.128 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -72.11 -35.97 69.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.89 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.76 -48.31 64.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.4 111.109 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.06 -46.71 75.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 64.34 110.894 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 43.2 mt -62.02 -35.04 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.136 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -63.35 -46.1 88.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.889 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -75.7 -31.32 59.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.11 110.907 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 15.8 p -80.43 -1.11 40.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 73.51 110.883 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 31.0 mt -120.02 26.51 9.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 72.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -71.56 170.55 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.13 110.905 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.1 tp -83.65 -37.5 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 75.13 111.139 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -93.65 -29.87 15.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 72.25 110.858 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -110.9 36.7 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.922 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 20.5 tp -52.98 107.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 73.5 110.927 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.85 80.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.857 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 9.7 m -61.24 -27.1 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.121 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -51.82 -39.37 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.21 110.888 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -75.73 -35.27 60.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.925 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 12.2 t -53.89 -57.18 11.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 75.13 110.847 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.44 -50.44 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 72.41 111.142 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.63 -34.06 36.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.84 -51.26 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.24 111.109 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 11.4 mt -52.09 -40.19 60.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -49.06 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.884 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -46.02 85.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.901 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -52.32 -54.21 34.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.91 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -58.27 -34.49 70.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.42 111.11 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -36.44 70.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.853 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.06 117.15 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 72.4 110.909 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -79.03 64.32 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.929 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.89 141.24 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 54.23 111.135 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.0 t -100.96 171.32 7.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.153 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -38.14 64.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 74.41 110.879 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -52.21 -59.07 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 70.25 110.886 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -66.51 -35.87 81.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 71.44 110.918 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.22 82.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.144 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -51.85 -37.65 52.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 75.25 110.89 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 2.4 mmpp? -75.22 -35.2 61.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -95.33 35.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.83 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.4 p -59.03 -36.11 74.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 63.35 111.159 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.08 -45.39 93.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 65.31 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -55.38 -37.21 67.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.872 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 5.8 mt -70.07 -39.11 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 72.42 111.13 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 9.1 m -59.43 -40.14 85.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 73.22 111.125 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.0 m -65.39 -35.61 81.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 72.14 111.121 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 29.9 mt -58.7 -35.88 73.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.902 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -76.2 -28.65 57.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 75.05 110.898 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -75.2 -35.15 61.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.922 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.476 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 35.1 pt -73.93 -2.02 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.44 111.144 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -79.47 -33.5 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 64.01 110.896 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.62 -18.87 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 75.44 110.84 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.476 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -40.64 121.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 75.04 110.871 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -177.56 134.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.914 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.19 131.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 53.33 111.092 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 32.1 t -67.31 168.06 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.889 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -70.18 -34.49 73.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.44 -40.47 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.33 111.135 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 94.9 mt -73.71 -47.04 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 74.31 111.167 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 34.1 mtm -59.4 -34.53 72.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.908 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.69 -44.38 56.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.875 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -67.4 -37.7 83.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.852 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 86.1 p -56.39 -47.59 78.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 72.43 110.797 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 95.4 m -55.36 -46.52 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 73.02 111.158 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -49.06 -47.92 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 75.45 110.903 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 45.7 mt -75.57 -34.69 60.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.02 110.884 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -56.34 -63.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.911 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -63.9 -32.09 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.898 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -52.57 -53.64 43.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.91 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -75.67 -35.99 60.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 75.33 110.874 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -57.91 -39.36 77.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 75.43 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -61.45 -34.88 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 70.12 110.926 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 12.4 mtm -75.56 -35.35 60.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.852 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -71.53 -36.98 71.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 65.35 110.851 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.5 pp -84.66 -34.75 22.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 74.43 110.904 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 98.0 t 57.69 90.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 74.14 111.149 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 169.67 -125.64 1.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 40.42 112.497 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.68 178.24 5.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 75.51 110.88 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 136.84 123.87 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.759 -0.734 . . . . 64.41 112.505 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -87.59 -62.18 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 72.32 110.858 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 80.2 p -111.14 -169.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 75.02 110.872 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 6.9 m -105.4 72.41 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 75.31 111.145 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 10.8 mt -149.11 44.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 70.31 111.14 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.55 123.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 73.3 111.114 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -75.86 110.52 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.887 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 21.7 t -135.95 112.81 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.148 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 51.85 35.92 16.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.99 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -121.79 124.79 45.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 64.43 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.92 -55.84 2.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 73.11 110.882 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 1.2 t -63.56 -54.7 31.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 75.54 110.855 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 1.3 mp -67.47 -35.97 80.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 75.3 110.878 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.7 -38.6 55.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 72.32 111.119 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -55.42 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 72.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -54.62 29.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 75.35 110.891 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -52.15 -40.59 61.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 73.33 110.927 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -55.86 21.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.92 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.75 -50.71 72.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 75.51 110.814 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.51 -58.58 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.889 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -36.25 74.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.903 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.05 -36.47 50.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 74.2 111.116 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -95.65 -36.3 11.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.915 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -170.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.875 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 1.2 m 64.32 45.0 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 60.34 111.111 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -171.96 84.25 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 75.02 110.884 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -177.74 -36.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 75.11 110.911 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.0 -63.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.924 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 104.54 -124.62 8.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 70.4 112.484 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.82 -73.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 74.2 110.872 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -152.82 -48.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 65.12 110.914 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 155.86 -170.54 33.69 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 75.31 112.492 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -173.06 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.713 2.275 . . . . 72.22 112.368 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -136.47 -43.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 63.41 110.889 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 138.91 41.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 74.34 110.889 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 73.12 110.905 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.888 0.375 . . . . 74.43 110.913 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -93.53 -174.85 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 75.44 110.912 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -172.99 -47.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.23 111.129 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . 63.59 -179.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.092 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.7 -58.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 71.4 110.829 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.08 179.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 74.54 110.944 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.74 169.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 65.14 111.139 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 11.6 p -70.27 -57.7 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 65.44 110.905 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.9 tpt -53.17 -39.86 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.41 110.826 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.1 -37.05 66.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 75.42 110.897 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.4 t -67.87 -39.17 83.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.822 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -74.52 -34.18 62.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 71.24 110.855 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.39 -47.73 54.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 64.05 110.903 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -57.22 -29.17 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.44 110.908 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -74.56 -38.62 62.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 73.31 110.841 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 17.7 mt -61.11 -42.74 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.43 111.107 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -70.56 -36.12 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.89 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.98 65.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 75.12 111.116 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.25 -47.95 74.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.881 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.3 mt -61.28 -35.29 65.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 73.45 111.109 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -62.67 -46.52 87.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.887 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -75.84 -31.37 59.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.855 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 13.1 p -79.51 -2.21 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.822 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 34.4 mt -119.09 26.47 9.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 70.21 110.916 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.56 170.66 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.01 110.869 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.25 -36.92 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.33 111.142 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -93.79 -31.02 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 71.24 110.874 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -110.14 36.82 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 75.13 110.876 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.5 tp -52.66 107.43 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.926 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.07 81.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.889 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 10.9 m -61.98 -26.55 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 64.02 111.162 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -51.79 -39.21 58.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 75.41 110.898 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -75.88 -35.35 59.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 72.11 110.865 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 14.5 t -53.7 -57.05 12.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.872 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.53 -49.58 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 73.42 111.158 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.48 -35.19 38.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.3 -50.62 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 73.15 111.098 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 11.5 mt -52.16 -40.82 61.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 73.21 110.917 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -49.18 78.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.857 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -45.64 85.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 71.12 110.881 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -52.64 -54.38 34.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.932 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.9 70.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.1 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -37.21 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 63.33 110.903 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 49.1 mt -65.81 118.21 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 75.1 110.918 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -80.48 63.57 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 73.33 110.908 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.9 p -76.44 140.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 70.22 111.109 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.4 t -100.36 171.67 7.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 75.32 111.118 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -38.03 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.871 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -52.17 -58.87 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -66.54 -35.96 81.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 74.23 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.7 -46.47 81.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 64.44 111.077 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -51.97 -36.15 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 71.43 110.959 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 2.5 mmpp? -75.44 -35.54 60.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 71.25 110.845 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -95.22 35.61 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.838 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.4 p -57.7 -35.65 70.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 64.12 111.145 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.76 -44.35 97.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 75.43 110.872 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -55.38 -37.66 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.88 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 5.6 mt -68.62 -42.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 73.32 111.153 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 8.5 m -58.65 -39.31 80.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 96.2 m -65.23 -34.93 79.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.13 111.11 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.91 -35.26 77.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.922 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -75.9 -28.76 58.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 72.41 110.895 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -74.96 -35.95 62.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.88 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.478 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 34.0 pt -73.37 -1.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 55.54 111.13 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -78.82 -34.07 45.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 71.35 110.888 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -19.85 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 73.43 110.898 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.478 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.51 120.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.931 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -177.15 133.12 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.909 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.6 p -58.98 133.71 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.41 111.151 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.5 t -69.41 169.27 12.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.871 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -70.84 -34.57 71.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.891 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 5.8 p -53.21 -40.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 75.33 111.154 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 89.3 mt -73.88 -46.27 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.43 111.12 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 33.8 mtm -59.69 -34.3 72.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 75.13 110.877 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.44 -43.37 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.922 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -67.97 -34.74 77.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.54 110.919 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.2 p -58.65 -50.23 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 42.8 m -53.52 -44.59 69.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 71.42 111.14 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -50.55 -49.09 56.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.51 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 49.3 mt -74.39 -37.84 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.926 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -56.97 -57.23 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.903 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -63.89 -33.96 76.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 72.53 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -55.47 -53.83 51.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.907 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -68.49 -44.23 75.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 72.12 110.875 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -53.68 -40.79 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.04 110.948 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -59.65 -36.05 75.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 62.42 110.928 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 12.3 mtm -77.04 -34.96 57.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 74.43 110.879 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -72.09 -36.54 69.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 75.14 110.862 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.49 -35.04 23.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 73.43 110.924 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 98.4 t 57.14 88.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 74.44 111.068 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 170.76 -124.84 1.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.719 . . . . 71.44 112.505 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.6 179.24 4.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 72.42 110.877 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 134.92 120.96 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 64.44 112.481 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -82.65 -62.77 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.31 . . . . 74.12 110.857 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 77.6 p -128.32 -173.22 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 72.34 110.835 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.93 -176.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 75.42 111.107 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 13.2 mt 68.67 57.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.54 111.12 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.23 87.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.35 111.141 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -62.87 108.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.944 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.35 111.6 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 74.11 111.154 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 51.65 36.64 17.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 73.25 110.885 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -121.12 124.43 44.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.884 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.02 -56.4 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 74.34 110.927 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 1.2 t -63.24 -55.0 28.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 75.14 110.807 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.93 -36.01 81.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.915 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.72 -38.51 55.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 72.51 111.108 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -55.63 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 75.3 110.911 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -54.51 29.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 75.01 110.892 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -52.22 -40.48 61.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 75.02 110.884 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -56.09 19.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 75.1 110.881 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.51 -51.18 70.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.34 110.846 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.15 -58.33 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.881 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -36.15 75.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 72.12 110.855 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.16 -36.26 51.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.096 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -95.88 -36.27 11.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.877 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -170.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.887 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 1.2 m 64.36 44.83 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 74.41 111.135 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -171.9 84.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.902 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -177.91 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.844 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.11 -63.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 75.14 110.924 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 104.65 -124.67 8.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 71.53 112.459 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.81 -73.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 75.14 110.921 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -152.9 -49.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.919 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 155.98 -170.45 33.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 70.12 112.512 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -172.8 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 74.05 112.369 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -136.52 -43.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.884 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 139.73 37.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.887 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.895 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.035 0 CA-C-O 120.91 0.386 . . . . 74.34 110.846 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -121.76 176.33 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.04 110.864 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -171.38 168.83 6.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 75.14 111.1 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -172.88 143.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 74.12 111.066 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 1.1 p -174.04 158.77 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 73.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.83 170.12 2.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 71.32 110.844 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.75 165.39 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 73.11 111.137 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -59.91 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 71.1 110.862 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.6 tpt -53.23 -38.6 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 71.15 110.862 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -73.77 -36.08 65.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.868 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 4.2 m -68.08 -36.32 79.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.867 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -77.43 -33.07 54.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 74.54 110.896 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 20.8 mt -74.83 -40.97 60.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.907 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -62.85 -35.35 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.84 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -77.18 -34.87 56.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.864 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 25.3 mt -62.38 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.143 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -71.99 -39.67 69.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.863 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.76 -42.87 81.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.4 111.075 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.78 -36.13 64.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 64.34 110.904 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 35.1 mt -75.0 -31.66 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 73.32 111.165 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -52.91 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.903 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -72.8 -31.17 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 73.11 110.901 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 16.7 m -75.23 -6.28 48.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 73.51 110.914 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 43.1 mt -117.44 25.98 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 72.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 169.79 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.909 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.9 tp -84.51 -37.64 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 75.13 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -93.05 -31.79 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 72.25 110.854 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -110.53 36.75 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.894 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 19.4 tp -53.13 106.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 73.5 110.919 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -126.51 70.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.15 110.821 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 6.7 m -54.34 -28.76 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.141 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -51.59 -43.81 62.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.87 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -76.07 -31.67 58.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.861 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 48.6 t -52.99 -45.9 68.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.904 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -66.11 -45.73 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 72.41 111.111 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.33 -33.49 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.906 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.79 -53.87 7.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 74.24 111.054 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.98 -35.66 47.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 75.53 110.893 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.63 -49.0 76.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 74.23 110.858 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -58.73 -45.99 88.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 72.41 110.891 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -52.44 -49.56 64.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.9 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -60.27 -34.15 73.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.121 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.91 -36.78 67.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.816 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 62.7 mt -67.4 119.96 13.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 72.4 110.916 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -77.6 60.38 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.92 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.79 137.05 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 54.23 111.12 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.1 t -102.65 170.14 8.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 73.21 111.166 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -35.97 47.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.911 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -59.29 4.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 70.25 110.916 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -35.82 82.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.873 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.3 -48.24 82.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.11 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -51.78 -35.9 45.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 75.25 110.919 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -81.73 -35.11 30.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 75.54 110.903 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -95.31 35.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.833 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 17.1 p -59.44 -35.53 74.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 63.35 111.193 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.6 -47.5 76.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 65.31 110.913 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 47.0 ttp -55.36 -37.62 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.928 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 53.6 mt -68.74 -43.18 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.095 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 41.0 m -54.36 -36.73 64.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 73.22 111.145 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -70.5 -40.75 73.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 72.14 111.175 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 10.9 mt -53.68 -36.82 62.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.918 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -28.91 57.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 75.05 110.896 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -75.66 -35.62 60.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.902 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.441 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 39.4 pt -73.66 -0.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.134 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -33.12 37.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.885 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -20.44 6.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.884 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.67 120.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.04 110.878 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -179.68 138.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 6.7 m -63.84 136.26 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 53.33 111.121 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 9.8 t -70.25 173.64 6.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.826 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -35.46 74.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 74.23 110.888 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 10.6 p -61.43 -29.6 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.33 111.112 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 78.2 mt -74.15 -51.47 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.149 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.1 ptp -66.28 -45.49 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.03 110.898 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.5 -33.33 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 73.25 110.895 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -76.91 -40.72 46.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.887 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.5 p -56.5 -49.13 75.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 72.43 110.851 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 84.8 m -52.6 -34.24 49.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 73.02 111.165 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -48.95 79.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.859 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 51.0 mt -74.56 -36.38 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 74.02 110.91 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -66.13 -37.82 86.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.928 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -73.6 -34.97 65.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 73.14 110.878 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -70.09 -39.28 75.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.854 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -75.38 -51.87 12.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.86 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -53.89 -32.28 52.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 75.43 110.924 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -68.07 -35.53 78.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 70.12 110.886 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 26.8 mtm -76.02 -34.62 59.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.937 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -71.19 -37.1 72.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 65.35 110.821 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.4 pp -85.55 -34.78 21.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.949 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 99.5 t 58.17 89.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 74.14 111.115 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -130.66 -84.43 0.32 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.741 -0.742 . . . . 40.42 112.537 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.76 143.84 23.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 75.51 110.913 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 91.33 169.33 41.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.8 -0.714 . . . . 64.41 112.503 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.86 -44.4 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 72.32 110.866 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 1.4 t -149.04 141.69 24.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 75.02 110.854 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 33.0 m -147.17 -177.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 75.31 111.089 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 1.3 pp -138.12 153.93 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 70.31 111.157 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.6 m 53.73 82.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 73.3 111.177 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.25 153.2 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.911 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 6.6 m -139.33 119.82 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 73.03 111.122 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.58 133.6 8.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.872 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -177.54 177.38 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 64.43 110.914 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -116.02 -67.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.869 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 33.1 p -62.22 -53.3 57.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 75.54 110.817 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 58.7 mt -66.51 -35.95 81.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 75.3 110.936 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.9 44.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 72.32 111.071 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.34 -60.73 3.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 72.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -68.29 -36.22 79.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 75.35 110.937 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -52.27 -61.59 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.903 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -52.2 -36.17 51.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.895 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -59.04 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 75.51 110.897 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -67.51 -50.0 60.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -36.26 50.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.08 -35.89 49.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.2 111.08 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -59.76 -44.53 93.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 74.14 110.874 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt 54.66 90.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.918 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.1 t -138.83 149.04 44.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 60.34 111.146 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.29 97.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 75.02 110.897 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.08 179.95 4.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 75.11 110.905 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -109.76 -73.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 72.43 110.894 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 59.2 89.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 70.4 112.528 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -136.03 -71.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 74.2 110.865 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.98 169.47 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 65.12 110.891 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 92.51 -176.42 38.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 75.31 112.478 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 105.4 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.273 . . . . 72.22 112.36 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -58.52 -43.18 89.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 63.41 110.901 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.52 148.01 13.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.886 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.884 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.934 0.397 . . . . 74.43 110.849 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -121.71 176.32 5.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 75.44 110.892 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -171.33 168.86 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.12 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -172.86 143.08 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 75.44 111.122 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 1.1 p -174.11 158.71 3.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.865 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.9 170.03 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.871 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.64 165.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 65.14 111.128 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -60.33 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.865 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.6 tpt -53.12 -38.37 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 74.41 110.904 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.29 -35.8 66.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.855 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 4.1 m -68.96 -38.2 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 73.54 110.844 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.79 -36.02 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 71.24 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 27.8 mt -71.47 -47.76 53.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 64.05 110.942 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -57.35 -31.07 65.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.895 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -76.66 -38.5 54.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 73.31 110.888 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 18.0 mt -62.52 -39.28 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.106 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -71.89 -43.55 65.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.843 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.36 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 75.12 111.095 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.96 -36.38 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.45 110.884 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 38.4 mt -72.73 -34.57 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.45 111.129 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -60.9 -51.11 70.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.9 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -71.31 -31.0 66.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 75.2 110.884 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 66.6 m -79.86 -2.01 41.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.855 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 25.8 mt -120.39 26.23 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 70.21 110.882 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -71.06 170.34 13.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 75.01 110.88 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.9 tp -84.02 -38.4 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.076 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -93.22 -31.1 14.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 71.24 110.891 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -110.5 36.42 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 19.9 tp -53.18 107.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 74.24 110.903 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.45 67.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.895 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 16.1 m -51.75 -30.72 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 64.02 111.128 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -52.15 -42.07 63.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.906 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -75.77 -32.89 60.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 72.11 110.891 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 45.3 t -53.08 -48.84 67.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 73.04 110.838 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -63.05 -44.83 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 73.42 111.143 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.33 -34.79 35.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.74 -51.49 11.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.15 111.108 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 16.7 mt -52.2 -35.44 49.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.933 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.38 -49.14 72.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.859 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -57.11 -47.05 82.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 71.12 110.864 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.38 -52.2 54.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 72.31 110.948 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.69 -34.35 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 71.22 111.125 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.99 -37.13 67.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 63.33 110.88 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 67.5 mt -67.78 119.86 13.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 75.1 110.918 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -77.51 60.7 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.863 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.92 137.56 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 70.22 111.122 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 13.2 t -103.05 170.04 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.15 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -36.05 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.888 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -59.16 5.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.896 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -36.09 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.927 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.52 -48.5 81.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 64.44 111.081 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -51.88 -36.07 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 71.43 110.92 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -81.19 -35.55 31.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 71.25 110.903 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -95.28 35.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.857 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 16.5 p -59.42 -35.26 73.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 64.12 111.106 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.54 -47.28 76.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 75.43 110.864 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 44.8 ttp -55.33 -39.95 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.844 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.29 -43.5 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 73.32 111.142 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 43.9 m -54.13 -36.89 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 75.14 111.14 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -70.52 -40.07 73.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 73.13 111.138 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 11.0 mt -54.19 -37.35 64.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.876 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.27 -28.55 57.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 72.41 110.943 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -75.69 -34.16 60.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.925 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.453 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 36.3 pt -75.31 -1.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 55.54 111.09 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -34.1 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 71.35 110.858 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.0 -17.23 9.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.862 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.453 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 5.6 t80 -43.07 115.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -174.2 137.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.864 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.5 p -59.25 137.93 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 73.41 111.155 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 9.8 t -71.97 179.98 3.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 72.24 110.832 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -39.6 29.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.54 110.928 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.47 -29.3 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 75.33 111.137 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 85.9 mt -75.02 -54.04 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 74.43 111.08 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.1 ptp -62.02 -44.37 96.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.859 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -63.32 -32.75 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.895 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -76.64 -39.54 52.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 74.54 110.915 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 60.3 p -57.85 -47.88 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 75.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 87.7 m -53.39 -34.35 57.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 71.42 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -48.05 82.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 75.51 110.86 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.54 -36.15 63.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 73.32 110.872 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -67.14 -37.6 84.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -73.49 -35.18 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.53 110.923 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -69.95 -39.26 76.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 72.32 110.896 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -75.29 -51.71 12.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 72.12 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -54.23 -32.38 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 74.04 110.951 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -68.02 -35.39 78.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 62.42 110.868 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 26.6 mtm -75.99 -34.72 59.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.869 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -71.23 -37.12 72.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.84 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.4 pp -85.4 -34.76 21.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 73.43 110.944 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 99.4 t 58.14 90.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.44 111.156 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -131.33 -84.45 0.3 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 71.44 112.464 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.87 143.71 22.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 72.42 110.885 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 91.36 169.39 41.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 64.44 112.511 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.89 -44.25 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 74.12 110.856 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 1.4 t -149.23 141.73 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.876 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 33.0 m -147.17 -177.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 75.42 111.166 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 1.3 pp -138.05 154.07 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 75.54 111.127 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 1.6 m 53.53 82.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 73.35 111.14 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.12 152.99 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.918 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 6.6 m -139.06 119.45 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.11 111.132 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.13 133.37 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 73.25 110.885 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -177.32 177.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.909 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -116.03 -67.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.884 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 33.2 p -62.22 -53.22 58.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.834 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.57 -35.99 81.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 75.41 110.925 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.8 44.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 72.51 111.1 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.38 -60.75 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.3 110.859 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -68.33 -36.14 78.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 75.01 110.947 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -52.19 -61.89 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 75.02 110.875 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -52.05 -36.15 49.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.884 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -59.15 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 73.34 110.897 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -67.56 -49.98 60.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.876 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -36.32 49.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 72.12 110.891 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.12 -35.91 49.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 74.21 111.085 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -59.55 -44.85 93.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.895 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt 54.89 90.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.23 110.892 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 4.1 t -138.8 149.17 44.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 74.41 111.12 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.07 97.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 73.2 110.847 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.96 179.87 4.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.871 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -109.66 -73.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 75.14 110.928 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 59.09 89.06 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.74 -0.743 . . . . 71.53 112.513 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -136.01 -71.76 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 75.14 110.92 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.99 169.55 9.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.931 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 92.48 -176.43 38.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 70.12 112.499 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 105.24 1.45 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.711 2.274 . . . . 74.05 112.397 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -58.4 -43.14 88.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 71.54 110.868 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.77 147.96 13.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.9 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.2 110.882 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.863 0.363 . . . . 74.34 110.826 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -178.76 174.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 73.04 110.923 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -127.87 58.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.066 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -175.97 -169.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.12 111.086 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 66.8 m -53.35 102.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 73.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.32 -170.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 71.32 110.874 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -35.46 41.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 73.11 111.169 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 51.1 m -51.93 -39.51 59.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 71.1 110.866 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -39.9 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 71.15 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -73.3 -35.9 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.866 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -38.73 76.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 64.41 110.912 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -75.66 -34.91 60.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 74.54 110.892 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.78 -47.67 51.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.94 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -57.67 -30.46 65.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 72.33 110.873 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -73.18 -40.28 64.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.897 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 19.8 mt -60.62 -41.82 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.164 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -71.98 -39.53 69.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 71.44 110.82 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.83 -45.27 78.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 73.4 111.123 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -55.12 -53.8 51.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 64.34 110.851 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 51.9 mt -55.09 -35.61 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.15 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -58.65 -51.9 67.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.35 110.856 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -72.97 -32.85 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 73.11 110.915 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 8.2 m -74.05 -7.67 53.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.51 110.828 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 43.5 mt -115.21 26.22 10.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 170.58 10.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.43 -37.82 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 75.13 111.111 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -92.7 -31.53 15.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.887 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.51 36.36 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.883 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 19.5 tp -53.48 107.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.5 110.911 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -131.46 81.84 2.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.857 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 8.9 m -60.92 -26.96 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.073 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -51.93 -39.91 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.89 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -75.76 -34.69 60.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.854 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 7.9 t -53.37 -59.56 4.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 75.13 110.872 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.33 -48.73 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 72.41 111.119 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.88 -35.24 44.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.82 -53.51 7.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.128 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 85.4 mt -52.2 -35.49 49.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 75.53 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.6 -48.9 79.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.901 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -43.55 98.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.883 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -55.85 -37.11 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.953 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.08 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 74.42 111.116 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -36.41 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 74.33 110.821 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 73.5 mt -58.99 131.11 50.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 72.4 110.913 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -89.6 55.35 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.917 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.98 137.64 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 54.23 111.111 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -102.74 171.85 7.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.145 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -40.65 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.897 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.17 -59.26 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 70.25 110.865 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.43 -36.56 81.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.921 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.98 77.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 74.33 111.09 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -51.93 -37.91 54.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.918 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.4 -35.4 61.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.912 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -95.26 35.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.84 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -38.23 89.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 63.35 111.14 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.44 -48.97 73.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 65.31 110.883 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 53.8 ttp -55.35 -35.65 65.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.852 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 60.8 mt -68.47 -36.64 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 72.42 111.151 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 16.7 m -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 73.22 111.128 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.2 m -64.55 -35.63 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 72.14 111.124 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.56 -35.22 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.918 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -76.25 -29.2 57.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 75.05 110.889 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -74.8 -35.62 62.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.909 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 35.9 pt -73.23 -1.55 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.44 111.098 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -34.45 42.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.01 110.85 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.63 -18.71 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.467 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.6 OUTLIER -40.13 117.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.879 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -174.28 135.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 10.7 p -61.86 133.49 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 53.33 111.179 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 37.9 t -68.94 167.57 15.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.888 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -69.55 -35.16 75.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.36 -40.28 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 73.33 111.112 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 94.0 mt -73.56 -45.55 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.31 111.131 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.01 -33.25 72.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.88 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.31 -53.32 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.895 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -60.28 -41.22 92.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.887 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 94.1 p -54.95 -41.95 71.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 72.43 110.867 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 34.6 m -59.5 -57.75 11.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 73.02 111.14 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 8.5 ttp -49.5 -38.26 29.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 75.45 110.85 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 61.9 mt -75.23 -35.57 61.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 74.02 110.85 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -61.69 -62.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 74.23 110.942 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -59.54 -33.39 71.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -52.56 -46.34 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.885 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -75.51 -46.41 32.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 75.33 110.876 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 11.4 tttm -52.96 -36.84 60.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.909 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -60.81 -35.41 76.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 70.12 110.944 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 23.3 mtm -76.81 -35.35 57.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.886 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -73.25 -36.35 66.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 65.35 110.874 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.2 pp -85.17 -35.22 21.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.919 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 93.5 t 56.5 90.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 74.14 111.193 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 168.61 -81.34 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 40.42 112.493 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -178.65 171.05 1.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 75.51 110.895 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 140.62 142.51 4.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 64.41 112.481 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -179.18 173.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 72.32 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 13.9 t 59.77 174.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 75.02 110.853 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.67 127.22 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 75.31 111.158 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 59.8 mt -124.86 -35.97 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 70.31 111.147 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.9 m 64.44 42.54 5.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 73.3 111.202 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.64 -168.07 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 73.44 110.937 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 40.3 t -49.33 113.89 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.03 111.111 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 49.7 mt -103.57 -68.36 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 73.43 110.911 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -88.02 178.36 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 64.43 110.877 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -116.38 -68.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 73.11 110.888 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 6.3 t -72.74 -55.38 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 75.54 110.858 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -33.64 76.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.96 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.61 -34.28 25.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 72.32 111.128 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -54.96 -57.42 11.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 72.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -74.3 -47.88 31.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.35 110.91 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.92 -34.7 42.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.842 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -50.74 -35.65 32.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.883 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -35.52 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.51 110.925 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -59.3 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 75.33 110.899 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.79 -35.94 73.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.897 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.55 -35.6 41.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.2 111.053 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -80.79 -43.39 20.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 74.14 110.867 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.11 119.21 25.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.923 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.8 p -110.47 163.79 13.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 60.34 111.183 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.64 -50.22 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.02 110.906 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 48.63 85.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.847 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.84 111.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.926 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -137.8 -56.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 70.4 112.449 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.48 157.53 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 74.2 110.924 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -179.47 138.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 65.12 110.912 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 58.99 77.32 0.18 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 75.31 112.519 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 102.42 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.722 2.281 . . . . 72.22 112.339 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -56.0 177.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 63.41 110.869 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.49 -173.17 4.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.861 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 1.4 tptp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.895 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.853 0.359 . . . . 74.43 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -178.69 173.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.914 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -127.76 58.17 1.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 74.23 111.133 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -175.89 -169.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 75.44 111.113 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 66.7 m -53.25 102.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 71.4 110.826 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.09 -170.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.876 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.28 -35.49 50.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 65.14 111.144 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 50.2 m -51.95 -40.21 60.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 65.44 110.853 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.57 -39.05 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 74.41 110.876 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.15 -37.01 66.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.889 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -39.33 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 73.54 110.839 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.87 -36.35 62.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 71.24 110.861 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.57 -48.05 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 64.05 110.945 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -58.4 -32.64 68.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 71.44 110.896 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -70.3 -40.15 74.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 73.31 110.902 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 14.8 mt -61.81 -41.87 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.43 111.142 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -69.72 -38.68 76.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.841 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.69 -43.94 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 75.12 111.14 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -55.39 -54.09 48.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.45 110.893 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 54.3 mt -54.82 -35.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.45 111.127 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -58.32 -51.91 67.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.923 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -73.15 -32.59 64.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.88 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.2 m -74.12 -7.59 53.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.861 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 46.0 mt -115.49 26.22 10.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 70.21 110.901 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 170.7 9.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.01 110.917 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.4 tp -84.43 -37.84 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.134 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -92.86 -31.81 14.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 71.24 110.882 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.2 36.44 2.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.876 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 19.3 tp -53.42 107.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.922 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -131.69 81.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 74.12 110.867 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 9.4 m -61.08 -26.72 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.02 111.117 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -51.81 -39.95 59.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.873 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -75.86 -34.57 60.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.889 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 10.8 t -53.45 -58.87 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.04 110.897 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.5 -48.11 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.103 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.77 -35.59 44.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.78 -52.89 8.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.15 111.129 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 79.4 mt -52.21 -35.7 50.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.916 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.27 -49.04 78.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 74.33 110.872 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -42.88 99.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.896 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -56.01 -40.49 73.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.899 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.65 -35.09 72.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 71.22 111.057 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -37.08 67.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 63.33 110.856 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.54 131.18 50.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 75.1 110.875 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -90.02 55.57 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 73.33 110.925 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.95 137.46 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 70.22 111.149 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -101.97 172.47 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 75.32 111.164 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -40.46 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.859 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.43 -58.57 6.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.945 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.81 -36.29 80.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.891 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.71 -48.8 78.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 64.44 111.099 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -51.97 -36.89 51.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 71.43 110.959 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -35.77 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.25 110.883 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -95.36 35.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.874 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -37.78 86.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 64.12 111.156 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.43 -48.2 74.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 75.43 110.891 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 53.9 ttp -55.6 -36.8 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 75.43 110.893 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.54 -37.62 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 73.32 111.135 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 16.9 m -61.68 -39.73 92.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 75.14 111.151 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.0 m -64.42 -35.18 80.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 73.13 111.15 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 23.0 mt -58.28 -36.38 73.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 75.11 110.923 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -75.57 -29.07 59.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.916 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -74.27 -36.31 63.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.879 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.478 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 32.6 pt -73.46 -1.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 55.54 111.108 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -34.32 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 71.35 110.873 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.24 -18.82 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.868 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.478 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.86 118.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.896 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -174.79 134.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.11 134.3 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.126 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 37.2 t -69.73 168.22 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.858 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -70.1 -35.04 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 73.54 110.9 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 5.8 p -53.2 -40.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 75.33 111.133 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 86.9 mt -73.87 -45.07 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.43 111.149 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.9 mtm -61.12 -32.52 72.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.888 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.91 -53.47 13.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.914 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -59.97 -39.42 85.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.1 p -55.15 -46.62 75.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 37.7 m -56.68 -57.23 13.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 71.42 111.112 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 8.4 ttp -50.28 -35.7 28.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.866 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 50.3 mt -74.7 -46.44 37.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 73.32 110.922 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -59.65 -55.14 38.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.921 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -57.62 -35.14 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.92 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -57.99 -51.07 71.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.906 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -66.39 -46.8 75.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.907 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -53.22 -35.72 60.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 74.04 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.65 -35.53 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 62.42 110.893 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 23.3 mtm -76.53 -35.11 58.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.868 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -73.18 -37.07 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 75.14 110.898 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.2 pp -84.39 -35.33 23.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.951 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 94.5 t 56.6 89.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.44 111.116 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 168.3 -81.02 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 71.44 112.464 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -177.4 171.37 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 72.42 110.865 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 140.75 142.21 4.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 64.44 112.512 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -178.76 175.34 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 74.12 110.823 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 13.4 t 59.67 179.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 72.34 110.851 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 6.7 p -75.09 126.37 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 75.42 111.132 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 60.3 mt -120.18 -36.99 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 75.54 111.121 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 1.9 m 64.36 35.32 9.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 73.35 111.141 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.46 132.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.946 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 14.6 t 59.83 101.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.138 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 43.3 mt -126.29 -74.82 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.963 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -99.17 179.57 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.882 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -116.32 -68.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.854 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 6.3 t -73.37 -55.19 6.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 75.14 110.867 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -32.82 74.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 75.41 110.903 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.49 -33.38 21.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 72.51 111.142 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -54.81 -59.92 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 75.3 110.868 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.42 -45.49 54.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 75.01 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -51.92 -36.11 47.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.02 110.838 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -51.54 -35.73 41.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 75.1 110.908 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.16 -35.83 64.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 73.34 110.823 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -59.24 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.43 110.87 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.02 -35.43 73.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 72.12 110.892 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.63 -36.03 44.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 74.21 111.083 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -80.4 -42.82 22.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.73 121.4 33.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.901 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 27.8 p -108.56 160.18 16.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 74.41 111.163 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.83 41.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.2 110.89 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -48.25 104.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.838 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -166.79 104.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.877 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -135.56 -39.57 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 71.53 112.51 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.88 -173.65 4.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.344 . . . . 75.14 110.889 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -178.73 -168.69 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 74.52 110.939 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -48.96 107.87 0.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 70.12 112.535 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 111.06 2.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.715 2.276 . . . . 74.05 112.384 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -60.67 -178.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.75 -174.95 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 74.01 110.842 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 1.4 tptp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 74.2 110.898 179.886 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.847 0.356 . . . . 74.34 110.879 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -170.25 164.82 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.907 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -121.33 146.32 46.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 75.14 111.115 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -101.83 -178.73 3.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 74.12 111.123 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 1.2 t -120.63 87.65 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -140.19 127.43 21.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 71.32 110.924 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 1.4 m 49.27 88.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 73.11 111.121 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -39.34 72.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 71.1 110.873 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -34.24 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 71.15 110.863 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -73.49 -35.8 65.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.889 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -39.08 89.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.883 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -74.92 -33.62 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.54 110.878 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.19 -47.77 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.962 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -56.08 -28.64 58.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.883 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -77.2 -41.0 43.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.847 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 21.3 mt -59.69 -38.77 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 73.14 111.133 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -71.9 -51.14 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.838 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.63 94.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.4 111.11 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.17 -52.1 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 64.34 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 44.3 mt -59.24 -35.0 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.32 111.138 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -61.64 -52.46 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 71.35 110.863 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -70.77 -26.96 63.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 73.11 110.872 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.2 p -76.86 -27.18 54.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 73.51 110.852 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 37.4 mt -94.85 26.57 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 72.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 168.84 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.13 110.865 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.7 tp -84.9 -41.0 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 75.13 111.151 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -89.18 -33.74 16.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.879 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -106.78 36.56 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 74.44 110.857 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.7 tp -54.46 106.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 73.5 110.924 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -132.58 74.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.921 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 18.2 m -51.3 -28.99 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.121 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -51.29 -37.79 49.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.86 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -76.33 -35.45 58.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.846 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 23.6 t -55.6 -57.9 10.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 75.13 110.887 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -53.41 -49.07 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 72.41 111.096 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -51.66 -35.29 41.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.884 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.94 -51.33 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.121 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 45.9 mt -52.1 -40.9 61.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.53 110.952 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.69 -44.47 96.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.876 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -48.02 83.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.92 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -52.57 53.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 75.32 110.929 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.21 -34.19 63.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 74.42 111.143 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.39 -36.11 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.879 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 60.7 mt -70.9 123.96 23.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 72.4 110.901 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.96 73.56 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 74.43 110.921 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 23.6 t -71.05 132.31 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 54.23 111.101 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -95.56 172.48 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 73.21 111.179 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -39.15 80.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.825 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -60.56 -46.69 89.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 70.25 110.922 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.07 -44.45 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 71.44 110.908 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.68 -44.0 81.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.105 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -51.69 -36.41 46.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.891 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.9 -35.21 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 75.54 110.891 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -95.42 35.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.842 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.1 p -64.41 -39.4 93.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.35 111.147 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -55.46 -48.12 75.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 65.31 110.862 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 58.5 ttp -55.36 -36.13 65.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 74.31 110.921 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.95 -35.14 67.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 72.42 111.152 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 89.0 m -61.42 -40.22 93.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 73.22 111.119 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.0 m -62.44 -37.44 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 72.14 111.191 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 15.2 mt -56.37 -34.82 67.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.889 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -76.16 -28.61 57.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 75.05 110.877 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.53 -35.54 60.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 73.14 110.865 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.463 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 36.1 pt -73.47 -1.56 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 75.44 111.15 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -79.61 -33.59 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 64.01 110.889 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.82 -20.14 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.9 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.463 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.43 123.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.04 110.861 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -178.91 140.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.21 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.91 143.75 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 53.33 111.105 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 8.0 t -76.49 179.65 5.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.868 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -80.34 -33.61 37.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.923 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.12 -38.28 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.33 111.102 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 98.3 mt -67.08 -54.52 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.31 111.15 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 25.6 ptp -59.86 -33.96 72.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.03 110.872 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -73.61 -35.89 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.873 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -76.47 -35.71 58.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.0 p -58.15 -47.12 84.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 72.43 110.784 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 32.2 m -53.31 -45.29 68.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 73.02 111.122 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.7 tpt -50.88 -50.32 57.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.884 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.51 -44.17 71.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.02 110.903 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -54.94 -44.82 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.963 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -72.39 -44.67 62.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 73.14 110.867 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -53.81 -46.84 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.928 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -63.18 -45.22 92.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 75.33 110.915 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -35.88 76.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.91 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -52.92 -34.09 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 70.12 110.866 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 59.2 mtm -85.47 -35.58 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.832 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -61.98 -37.13 83.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 65.35 110.893 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 1.9 pp -75.73 -34.87 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.875 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.3 31.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 74.14 111.14 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -149.34 33.16 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 40.42 112.464 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.34 -171.74 2.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.943 0.402 . . . . 75.51 110.888 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -168.46 -49.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 64.41 112.484 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -176.03 170.39 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 72.32 110.88 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 1.3 t -179.41 100.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 75.02 110.898 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 20.7 t -68.19 119.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 75.31 111.091 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 25.2 mt 64.44 108.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 70.31 111.15 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.39 129.03 8.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 73.3 111.133 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -154.78 55.99 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.909 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.07 -177.94 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 73.03 111.131 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.72 119.21 9.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 73.43 110.936 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -177.35 -171.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 64.43 110.88 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -38.53 56.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.899 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -36.51 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 75.54 110.897 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.64 -36.0 75.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 75.3 110.915 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.74 -35.68 44.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 72.32 111.093 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -65.45 -40.75 93.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 72.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -36.16 64.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 75.35 110.892 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -52.22 -36.02 51.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.838 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -35.85 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 74.13 110.936 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -52.01 -44.56 64.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 75.51 110.795 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -52.78 -37.45 59.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.878 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -74.63 -56.8 4.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.854 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.63 -34.83 53.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.133 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -51.6 -44.25 62.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 74.14 110.887 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -111.41 -74.98 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 73.14 110.88 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 1.9 t 178.97 -42.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 60.34 111.153 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 71.1 -69.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.878 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -179.16 -170.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.86 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -141.91 137.98 31.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.858 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 74.36 130.74 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.74 . . . . 70.4 112.456 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -172.62 150.66 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 74.2 110.88 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -162.98 175.86 10.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 65.12 110.908 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 153.58 69.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.76 . . . . 75.31 112.496 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 146.87 61.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 72.22 112.363 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.76 160.54 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.881 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -175.78 152.46 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.926 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.913 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.923 0.392 . . . . 74.43 110.799 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -170.26 165.51 8.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 75.44 110.891 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -115.03 145.27 42.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.23 111.065 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -95.99 -175.39 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 75.44 111.106 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 1.2 t -116.8 101.91 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.4 110.88 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -131.15 -168.11 1.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 74.54 110.858 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 1.5 m -46.48 108.58 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 65.14 111.149 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -39.06 53.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 65.44 110.822 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -36.98 73.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 74.41 110.91 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -73.44 -39.54 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.86 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -39.54 94.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 73.54 110.868 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -74.69 -34.71 62.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 71.24 110.915 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.51 -47.86 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 64.05 110.891 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -55.76 -28.56 56.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.931 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -76.8 -39.32 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.891 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 17.7 mt -60.5 -38.37 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.104 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -71.32 -49.84 38.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.823 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.03 99.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 75.12 111.095 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.59 -51.19 67.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.832 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 43.3 mt -59.87 -35.47 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 73.45 111.145 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -61.05 -52.27 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 74.42 110.869 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -70.9 -27.21 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.2 110.888 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.7 p -76.68 -27.41 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.895 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 37.1 mt -94.45 26.3 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 70.21 110.926 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 168.85 9.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.01 110.895 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.91 -40.84 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 74.33 111.116 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -89.37 -33.55 16.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.872 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -106.88 36.56 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.885 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 16.8 tp -54.42 106.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 74.24 110.902 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -132.74 74.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 18.0 m -51.39 -29.04 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 64.02 111.126 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -51.38 -37.61 49.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 75.41 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -76.37 -35.53 58.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.874 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 20.1 t -55.35 -58.04 9.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 73.04 110.902 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.3 -47.62 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 73.42 111.143 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.96 -36.31 49.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.98 -48.86 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.15 111.11 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.11 -39.66 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.919 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.08 -48.31 80.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.846 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -46.73 79.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 71.12 110.88 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -54.93 25.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.916 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.48 64.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.22 111.071 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.62 -36.41 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.33 110.845 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 58.1 mt -72.17 121.56 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 75.1 110.909 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.37 72.32 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.904 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 24.6 t -69.49 132.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 70.22 111.126 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -96.2 172.34 8.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 75.32 111.136 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -38.53 79.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.83 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -60.99 -47.16 87.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.938 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -44.58 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.91 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.05 -44.28 78.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 64.44 111.095 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -51.81 -36.05 46.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.916 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.51 -35.5 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 71.25 110.915 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -95.24 35.6 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.861 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.1 p -63.45 -40.8 98.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 64.12 111.126 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -55.55 -47.31 76.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.901 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 53.9 ttp -55.35 -35.77 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.43 110.855 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 54.7 mt -70.1 -34.84 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.109 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 88.2 m -61.2 -40.08 92.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 75.14 111.137 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.4 m -62.38 -37.95 87.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 73.13 111.145 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 12.5 mt -55.87 -35.17 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.877 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -76.03 -28.48 57.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.898 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.54 -35.59 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.895 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.446 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 35.7 pt -73.49 -1.62 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 55.54 111.145 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -79.57 -33.39 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.86 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.06 -20.22 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.879 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -40.25 123.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 74.51 110.925 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -178.81 140.32 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.937 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.21 143.46 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 73.41 111.155 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 7.9 t -76.11 179.45 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 72.24 110.885 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -80.22 -33.72 37.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 73.54 110.914 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.09 -38.37 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 75.33 111.083 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 98.4 mt -66.87 -54.51 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.43 111.102 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.9 ptp -59.67 -33.89 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.904 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -73.8 -36.03 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.881 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -76.23 -34.97 59.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 74.54 110.849 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.8 p -58.89 -48.01 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 75.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 67.9 m -53.3 -44.44 68.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 71.42 111.173 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -51.53 -50.13 60.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 75.51 110.864 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 25.8 mt -71.5 -40.42 70.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.878 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.54 -44.12 84.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 75.05 110.916 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -73.55 -44.13 58.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 72.53 110.933 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -53.43 -47.85 69.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.932 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -62.46 -44.03 97.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 72.12 110.87 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -35.89 78.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.04 110.865 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -53.05 -33.54 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 62.42 110.875 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 59.4 mtm -85.56 -35.36 21.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.874 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -62.45 -37.18 84.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 75.14 110.885 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 1.9 pp -74.68 -34.8 62.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.929 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.48 30.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.125 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -152.59 44.59 0.62 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 71.44 112.488 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -169.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.947 0.403 . . . . 72.42 110.857 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 176.53 38.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 64.44 112.491 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.45 151.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 74.12 110.862 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 1.3 t -160.36 105.96 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 72.34 110.882 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 18.6 t -61.98 124.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 75.42 111.085 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 29.3 mt 64.23 109.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 75.54 111.161 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.96 127.42 6.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 73.35 111.095 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -157.45 55.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 72.33 110.863 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 17.0 m -132.15 -177.97 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 74.11 111.136 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.5 118.97 8.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.935 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -177.38 -171.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.86 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -38.56 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.876 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.64 -36.62 72.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 75.14 110.873 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.64 -36.0 75.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 75.41 110.885 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.69 43.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 72.51 111.091 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -65.54 -40.81 93.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 75.3 110.903 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -36.33 64.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 75.01 110.901 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -51.95 -36.06 48.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 75.02 110.903 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -35.93 48.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.1 110.893 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -51.95 -44.3 63.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 73.34 110.869 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.06 -37.56 61.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.839 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -74.44 -56.78 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 72.12 110.911 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.63 -34.82 53.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.093 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -51.65 -44.13 62.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.87 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -111.54 -74.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.89 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 1.9 t 178.92 -42.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 74.41 111.159 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 71.09 -69.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.908 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -179.16 -170.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.872 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -142.05 137.92 31.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.894 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 74.44 130.63 0.21 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 71.53 112.472 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -172.68 150.62 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 75.14 110.911 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -163.01 175.82 10.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 74.52 110.933 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 153.73 69.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 70.12 112.466 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 147.1 61.56 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.259 . . . . 74.05 112.268 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.89 160.78 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 71.54 110.873 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -175.9 152.66 1.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 74.01 110.862 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.2 110.863 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.868 0.366 . . . . 74.34 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -135.97 -52.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 73.04 110.868 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . 55.1 89.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 75.14 111.065 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -157.38 117.71 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 74.12 111.094 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.82 170.03 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.0 110.834 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -169.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 71.32 110.852 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.41 36.53 8.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 73.11 111.157 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 27.5 t -55.69 -35.75 66.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 71.1 110.882 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.12 -36.86 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 71.15 110.845 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.93 -35.82 64.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 75.24 110.817 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.2 -37.6 81.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 64.41 110.861 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -75.21 -34.21 61.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.828 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -47.64 54.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 73.52 110.876 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -57.76 -30.62 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.882 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -77.12 -43.46 34.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.883 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.55 -39.21 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.14 111.105 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -72.19 -45.07 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 71.44 110.796 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.96 87.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.4 111.063 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -54.77 -54.07 46.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 64.34 110.899 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 45.4 mt -55.39 -33.82 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 73.32 111.127 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -61.89 -52.09 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.35 110.922 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -69.56 -29.41 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.896 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 13.3 m -76.13 -26.92 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 73.51 110.822 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 22.6 mt -93.98 26.74 3.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 72.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.73 170.56 7.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 73.13 110.888 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.46 -39.79 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 75.13 111.095 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.02 -33.38 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 72.25 110.922 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -105.4 36.23 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.846 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 17.8 tp -55.57 107.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.5 110.927 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -134.55 76.03 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.908 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 5.3 m -51.42 -29.29 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.32 111.156 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -51.71 -37.73 52.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.911 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -75.98 -35.87 59.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.878 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 35.3 t -55.21 -58.93 5.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 75.13 110.899 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.57 -47.27 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 72.41 111.106 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.79 -36.79 49.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.883 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.15 -50.84 12.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 74.24 111.083 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 28.9 mt -51.94 -34.46 42.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.869 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.59 -49.2 78.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.916 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -51.88 -37.16 51.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.32 110.924 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.62 -34.6 76.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.42 111.092 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 8.4 t -79.05 -33.79 44.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.856 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.04 122.17 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 72.4 110.93 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -76.87 65.44 2.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.939 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -66.46 134.65 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 54.23 111.147 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.5 t -109.34 177.27 4.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 73.21 111.107 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.41 110.891 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -51.5 -50.47 59.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 70.25 110.927 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -38.59 63.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 71.44 110.864 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.09 -48.02 74.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.13 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -51.71 -35.79 44.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.911 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -81.47 -35.53 30.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 75.54 110.937 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -95.49 35.77 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.845 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.0 p -60.84 -37.54 82.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 63.35 111.145 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -45.34 84.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 65.31 110.872 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 48.4 ttp -55.36 -38.23 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 48.0 mt -69.06 -43.11 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 72.42 111.113 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 34.9 m -54.32 -37.51 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.22 111.136 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.8 m -68.07 -42.5 80.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.14 111.147 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 27.5 mt -52.36 -38.16 58.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 75.13 110.916 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -75.9 -28.75 58.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 75.05 110.895 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -74.94 -36.01 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.911 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.46 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 34.3 pt -73.2 -1.53 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 75.44 111.136 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.06 -34.57 43.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.01 110.873 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.1 -18.6 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.44 110.872 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.46 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.2 OUTLIER -41.27 121.81 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.936 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -177.95 137.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.13 134.88 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 53.33 111.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 28.4 t -71.73 173.16 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.853 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -73.19 -34.07 65.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 74.23 110.889 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 4.6 p -53.18 -41.32 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.14 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 98.2 mt -73.68 -49.66 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.129 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 36.2 mtm -55.81 -33.55 64.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.858 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.56 -53.36 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 73.25 110.89 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -59.76 -39.64 85.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.872 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -55.05 -47.67 74.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 72.43 110.847 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 24.8 m -57.16 -46.84 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 73.02 111.145 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 12.9 ttp -53.82 -42.25 68.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 75.45 110.851 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 57.1 mt -74.22 -44.75 51.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 74.02 110.958 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -56.06 -47.65 77.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.921 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -63.07 -40.99 99.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 73.14 110.893 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -53.56 -51.47 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.903 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -66.53 -35.1 79.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 75.33 110.883 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -61.23 -37.47 83.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.895 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.05 -39.82 95.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 70.12 110.906 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 8.7 mtm -74.87 -32.85 61.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.9 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -73.37 -36.43 66.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 65.35 110.887 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.2 pp -84.96 -35.5 21.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 74.43 110.916 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 99.5 t 56.44 92.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 74.14 111.127 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -107.96 110.93 3.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 40.42 112.468 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -78.87 111.22 14.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.895 0.378 . . . . 75.51 110.859 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 75.08 -109.97 2.93 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 64.41 112.505 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.55 175.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 72.32 110.882 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.36 162.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 75.02 110.861 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 5.6 m -128.14 73.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 75.31 111.159 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 13.5 mt -138.23 51.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.158 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 51.8 88.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.3 111.149 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 177.43 84.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.912 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 5.2 m -139.53 76.72 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 73.03 111.181 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.04 172.72 1.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 73.43 110.947 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -94.83 -177.33 4.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.874 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.47 -39.71 3.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.909 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 8.6 t -78.63 -54.22 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.791 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 44.6 mt -67.0 -35.96 81.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 75.3 110.896 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.73 -36.17 46.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.125 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.14 -60.5 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.0 110.863 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -66.14 -36.02 82.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 75.35 110.89 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -36.12 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.882 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -51.97 -35.95 47.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.903 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.37 -51.85 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.51 110.858 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -52.27 -54.58 29.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.854 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -51.98 -36.2 48.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 75.21 110.887 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.79 -36.16 46.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.2 111.075 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -80.32 -45.95 16.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.862 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.52 -169.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.899 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.12 -65.79 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 60.34 111.122 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -150.69 -169.79 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 75.02 110.945 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -107.06 -76.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 75.11 110.913 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 63.84 63.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.919 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -177.37 140.4 4.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.759 . . . . 70.4 112.467 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -179.39 -176.24 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 74.2 110.911 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.55 105.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 65.12 110.881 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -159.92 -178.21 33.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 75.31 112.499 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -168.95 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.645 2.23 . . . . 72.22 112.375 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.78 54.89 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 63.41 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt 61.86 171.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.927 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.12 110.907 179.821 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.876 0.369 . . . . 74.43 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -136.03 -52.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.895 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . 54.84 89.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 74.23 111.065 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -156.9 118.05 3.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 75.44 111.091 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.92 170.35 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 71.4 110.848 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -170.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 74.54 110.876 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.39 39.56 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 65.14 111.156 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 27.3 t -58.04 -36.73 73.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.887 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.37 -35.79 60.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 74.41 110.89 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.78 -35.78 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 75.42 110.879 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -37.97 81.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.871 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -74.87 -33.62 62.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 71.24 110.837 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.18 -33.24 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 64.05 110.956 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.56 -35.14 72.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.897 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -77.05 -38.32 52.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.871 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.07 -40.81 88.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 75.43 111.156 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -72.05 -41.57 67.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.841 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.98 77.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.12 111.102 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -55.1 -51.22 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.901 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.7 mt -57.79 -33.53 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 73.45 111.16 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -62.59 -52.07 64.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.928 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -69.4 -30.28 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.2 110.907 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 14.3 m -76.06 -26.62 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.832 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 21.4 mt -94.11 26.72 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 70.21 110.957 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.1 171.3 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.01 110.925 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.7 tp -84.57 -39.7 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.33 111.101 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -91.61 -32.97 15.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.879 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -105.01 36.31 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.904 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 17.1 tp -56.0 107.5 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.907 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -135.08 76.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.891 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 5.6 m -51.98 -28.89 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 64.02 111.077 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.61 -38.5 54.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 75.41 110.888 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -75.95 -35.41 59.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.868 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 20.1 t -54.64 -59.89 4.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.901 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.5 -45.55 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 73.42 111.112 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.15 -37.55 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.98 -50.12 13.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 73.15 111.094 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 29.4 mt -51.98 -34.31 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.959 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.95 -48.94 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.862 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -58.5 -50.55 73.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.897 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -52.41 -37.43 56.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.924 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.19 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 71.22 111.108 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 8.4 t -79.96 -34.16 38.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 63.33 110.852 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.6 mt -65.37 123.94 20.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 75.1 110.918 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -77.76 73.24 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.944 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.96 141.24 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 70.22 111.087 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -116.02 173.08 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.162 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -39.98 96.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.904 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.75 -50.32 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.95 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -38.72 65.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.911 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -54.81 -48.43 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 64.44 111.065 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.99 -35.81 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.879 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -81.37 -35.63 30.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 71.25 110.895 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -95.38 35.52 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.851 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 3.5 p -60.77 -37.42 81.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 64.12 111.117 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -46.39 81.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 75.43 110.902 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 44.3 ttp -55.25 -36.55 66.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.897 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 22.3 mt -70.13 -43.11 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 73.32 111.119 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 33.1 m -56.3 -36.62 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.14 111.122 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.0 m -67.83 -43.38 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 73.13 111.152 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 18.7 mt -53.1 -36.71 61.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.923 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -76.29 -28.69 57.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 72.41 110.859 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -75.55 -35.38 60.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 72.14 110.9 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.492 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 35.7 pt -73.35 -1.58 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 55.54 111.168 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -79.17 -34.35 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 71.35 110.865 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -18.15 7.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.896 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.492 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -41.16 121.94 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 74.51 110.864 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -177.8 138.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.917 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.05 134.51 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.41 111.095 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.1 t -71.36 172.02 10.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 72.24 110.865 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -72.18 -34.29 68.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 73.54 110.906 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.01 -41.84 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 75.33 111.145 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 97.9 mt -73.06 -49.96 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.43 111.128 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 36.6 mtm -55.62 -33.86 64.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.871 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.32 -53.3 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.881 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -59.66 -40.22 87.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.913 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.3 p -55.0 -46.54 75.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 75.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 25.0 m -58.18 -46.75 85.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 71.42 111.156 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 12.9 ttp -54.28 -41.81 69.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 75.51 110.898 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 51.6 mt -74.36 -45.07 49.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 73.32 110.888 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -55.56 -47.28 76.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.911 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -61.74 -39.65 92.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -55.04 -51.59 65.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 72.32 110.864 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -65.91 -31.88 73.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 72.12 110.843 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -67.05 -35.0 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.04 110.922 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -64.77 -43.7 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 62.42 110.878 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.1 ptp -73.97 -31.79 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.866 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -71.96 -37.3 69.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 75.14 110.895 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.3 pp -85.42 -34.94 21.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 73.43 110.911 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 98.9 t 57.49 94.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.44 111.115 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -111.25 107.67 2.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 71.44 112.486 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -85.16 100.81 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 72.42 110.912 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 77.27 -61.04 3.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 64.44 112.487 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.45 176.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 74.12 110.878 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.16 -169.6 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.871 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 6.2 m -107.24 74.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 75.42 111.073 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 16.0 mt -144.26 55.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 75.54 111.108 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.6 -178.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.35 111.114 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 66.69 96.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.922 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 6.6 m -145.93 66.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.101 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.56 179.14 2.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.895 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -92.64 -179.49 5.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.882 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.49 -38.92 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.923 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 8.5 t -77.88 -54.25 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.829 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 45.4 mt -66.79 -36.02 81.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.949 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.81 -36.44 47.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.51 111.16 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.81 -60.7 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 75.3 110.849 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.77 -36.02 82.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 75.01 110.912 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -35.93 48.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 75.02 110.875 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -52.16 -36.04 50.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 75.1 110.934 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.14 -52.36 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.878 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -52.21 -53.58 41.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 75.43 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.79 -35.89 57.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 72.12 110.864 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.5 -39.23 57.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 74.21 111.106 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -79.39 -44.35 21.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.861 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.81 -172.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.23 110.902 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.73 -66.41 0.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 74.41 111.13 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -179.14 164.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 73.2 110.881 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -86.88 -174.55 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.857 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -174.96 30.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.901 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -176.31 132.72 2.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.689 -0.767 . . . . 71.53 112.446 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -167.26 103.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 75.14 110.875 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.26 88.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 74.52 110.888 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -98.34 165.37 21.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.678 -0.772 . . . . 70.12 112.482 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -50.3 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 74.05 112.353 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -177.91 36.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 71.54 110.884 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt 63.36 167.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 74.01 110.872 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.919 179.868 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.895 0.379 . . . . 74.34 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -166.3 149.33 7.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.918 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -156.73 158.81 37.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.14 111.144 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -118.08 -176.73 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 74.12 111.09 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.75 75.94 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 73.0 110.834 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.8 153.32 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.32 110.893 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.32 108.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 73.11 111.193 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 15.4 m -52.24 -49.25 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.1 110.816 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.61 -38.44 64.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 71.15 110.862 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -73.43 -35.75 65.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.24 110.915 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.16 -36.58 79.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 64.41 110.876 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -77.57 -33.54 53.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 74.54 110.848 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 18.9 mt -75.03 -40.74 60.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.892 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.07 -35.36 79.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.897 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -77.28 -35.33 55.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 75.43 110.857 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 26.8 mt -62.34 -42.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.114 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -72.11 -45.38 60.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.881 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.62 99.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.4 111.129 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -54.98 -42.37 72.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 64.34 110.903 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 38.8 mt -66.06 -34.19 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 73.32 111.153 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -58.79 -52.12 67.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.933 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -70.38 -33.58 71.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.895 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 9.6 p -74.66 -10.62 59.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 73.51 110.858 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 31.5 mt -113.23 26.44 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 72.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.79 169.76 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.884 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.29 -38.66 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 75.13 111.151 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -91.7 -31.96 15.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 72.25 110.858 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -109.76 36.35 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.864 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 18.7 tp -53.69 107.32 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 73.5 110.885 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -132.03 80.9 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 74.15 110.843 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 11.3 m -59.28 -27.16 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.32 111.125 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -51.72 -40.19 59.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 71.21 110.904 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -35.17 59.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.833 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 13.3 t -53.42 -57.58 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.858 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.58 -49.69 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.41 111.147 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.89 -34.17 39.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.9 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.87 -53.96 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.067 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.7 mt -52.09 -42.7 63.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 75.53 110.907 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -48.97 77.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.86 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -44.95 82.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 72.41 110.875 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -54.16 33.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.898 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.08 -33.94 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 74.42 111.108 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 58.0 m -71.97 -36.85 69.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.818 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 61.2 mt -69.78 116.29 10.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 72.4 110.916 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -75.23 72.12 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.898 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -83.12 143.56 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 54.23 111.118 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.3 t -104.91 170.01 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.21 111.117 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.65 -37.15 58.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 74.41 110.857 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -51.89 -57.93 7.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 70.25 110.903 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -61.16 -35.5 77.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 71.44 110.96 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.97 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.099 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.32 -38.44 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.25 110.914 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -85.32 -33.45 22.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 75.54 110.936 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -96.39 35.54 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.813 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.4 p -61.67 -35.12 77.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 63.35 111.161 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -46.03 87.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 65.31 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 48.4 ttp -55.3 -37.51 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 74.31 110.91 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 5.9 mt -70.26 -42.99 78.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 72.42 111.1 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 85.9 m -54.41 -40.17 67.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 73.22 111.081 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 65.9 m -64.93 -42.3 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.14 111.176 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 16.1 mt -52.46 -36.19 54.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.924 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -28.84 57.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.05 110.887 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -75.88 -36.0 59.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.886 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.464 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 37.3 pt -72.97 -1.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 75.44 111.153 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.89 -34.3 44.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 64.01 110.892 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 -19.4 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.903 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -40.25 118.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.887 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.87 134.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.921 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.6 134.61 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 53.33 111.123 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 22.9 t -69.94 172.38 7.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.88 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -73.68 -34.64 64.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.918 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.9 p -54.82 -39.76 49.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 73.33 111.118 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.2 -44.52 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.31 111.145 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.2 mtm -61.1 -42.82 99.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.883 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.98 -33.66 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.901 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -74.11 -34.85 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 75.21 110.905 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.9 p -62.17 -47.37 84.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 72.43 110.892 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 46.1 m -52.42 -42.9 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 73.02 111.105 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 6.1 tpt -51.69 -52.35 48.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.884 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.31 -42.35 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.944 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -55.04 -47.8 74.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 74.23 110.93 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -71.84 -35.67 69.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.92 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -59.02 -45.49 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.914 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -75.37 -36.16 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.895 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -66.69 -35.13 79.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.881 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.68 -35.58 70.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 70.12 110.87 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 53.8 mtm -85.95 -32.66 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.848 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -70.0 -35.47 74.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 65.35 110.89 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.5 pp -80.37 -34.67 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.896 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 98.0 t 56.76 84.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.153 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 66.44 147.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 40.42 112.469 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -51.91 157.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 75.51 110.878 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -56.61 -179.32 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 64.41 112.483 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.99 -172.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 72.32 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.94 96.43 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 75.02 110.88 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 23.2 m -150.69 176.31 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 75.31 111.099 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 3.8 mp -87.39 -75.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 70.31 111.135 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.38 170.19 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 73.3 111.103 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -158.16 99.3 1.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.899 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 27.0 m -75.1 -179.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 73.03 111.092 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 5.4 mt -87.74 -72.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.889 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.21 -172.33 2.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 64.43 110.917 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -116.16 -68.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.867 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -55.02 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 75.54 110.872 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.51 -34.58 78.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 75.3 110.934 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.18 -35.1 34.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 72.32 111.093 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.07 -60.36 3.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 72.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -47.16 62.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 75.35 110.931 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -51.96 -35.63 46.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.33 110.828 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.78 -35.95 45.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.923 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -36.04 74.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.856 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -76.07 -57.19 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.912 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -36.27 49.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.912 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.56 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 74.2 111.08 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -62.32 -44.56 96.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.901 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -155.78 144.4 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.904 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.3 t -175.64 167.26 3.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 60.34 111.125 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.99 -73.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 75.02 110.89 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.82 149.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 75.11 110.87 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -177.15 153.89 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 72.43 110.956 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 145.16 156.04 6.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 70.4 112.469 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -136.78 164.48 28.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 74.2 110.918 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -79.43 172.09 14.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 65.12 110.901 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -170.69 165.72 38.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 75.31 112.483 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 177.16 5.84 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 72.22 112.346 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -92.59 -169.58 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 63.41 110.896 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.4 -177.45 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.873 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.909 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.825 0.345 . . . . 74.43 110.864 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -166.35 149.35 7.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.911 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -156.67 158.75 37.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 74.23 111.107 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -117.93 -176.51 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 75.44 111.063 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.84 75.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 71.4 110.891 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.47 153.39 50.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 74.54 110.874 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.41 108.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 65.14 111.13 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 15.4 m -52.42 -49.94 63.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 65.44 110.877 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.14 -37.75 62.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 74.41 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -73.4 -35.53 65.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.899 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.33 -37.92 77.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 73.54 110.82 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -74.94 -37.09 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 71.24 110.847 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 29.6 mt -71.51 -47.57 54.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 64.05 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.85 -30.93 64.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -76.72 -40.86 47.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.822 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 16.7 mt -60.51 -40.27 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 75.43 111.124 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -71.88 -50.12 32.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.839 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.1 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 75.12 111.098 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -54.94 -42.26 72.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.929 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 30.6 mt -65.69 -34.93 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 73.45 111.131 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -58.15 -52.06 67.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.892 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -70.32 -33.61 71.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.2 110.892 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.5 p -74.62 -10.55 59.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.871 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 32.0 mt -113.5 26.34 10.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 70.21 110.924 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.78 169.82 13.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 75.01 110.912 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.33 -38.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.164 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.87 -31.96 15.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.882 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -109.7 36.3 3.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 75.13 110.909 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 18.4 tp -53.71 107.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.906 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -131.92 80.76 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.869 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 11.5 m -59.12 -27.3 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 64.02 111.13 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -51.72 -40.28 59.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.867 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -34.81 59.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.862 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 12.2 t -53.42 -57.84 9.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 73.04 110.903 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.46 -48.7 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 73.42 111.147 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.79 -35.3 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.59 -53.54 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 73.15 111.106 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 4.7 mt -52.17 -42.64 63.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.934 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -47.38 84.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.849 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.5 -45.25 85.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.886 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.21 -54.46 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.925 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.16 -33.94 65.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 71.22 111.131 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 58.1 m -72.84 -36.57 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 63.33 110.84 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 63.8 mt -70.08 116.52 10.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 75.1 110.915 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -75.63 71.35 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.33 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -82.96 142.56 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 70.22 111.158 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.4 t -103.11 170.76 7.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 75.32 111.185 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -36.95 63.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.31 110.879 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -51.85 -54.68 26.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.94 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.12 -35.99 82.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.48 94.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 64.44 111.104 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.39 -35.98 41.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.928 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -87.29 -33.62 19.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 71.25 110.917 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -98.24 35.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.865 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.3 p -61.02 -35.55 77.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 64.12 111.14 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -45.37 86.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.864 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 48.0 ttp -55.43 -38.03 68.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 6.2 mt -69.45 -43.06 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 73.32 111.153 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 85.5 m -54.49 -40.36 68.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 75.14 111.121 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.2 m -64.81 -42.34 95.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.13 111.129 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 16.4 mt -52.49 -36.38 54.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.903 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -28.87 58.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.927 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -75.84 -36.01 59.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.871 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.474 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 37.4 pt -72.89 -1.66 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 55.54 111.182 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -78.85 -34.4 45.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.862 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -19.41 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.882 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.474 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.35 118.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.51 110.859 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -174.99 134.34 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.17 134.66 25.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 73.41 111.132 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 22.7 t -70.07 172.19 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 72.24 110.828 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -73.31 -35.13 66.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.953 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.0 p -54.41 -39.7 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 75.33 111.163 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 89.4 mt -74.19 -44.57 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 74.43 111.137 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.2 mtm -60.99 -42.66 98.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.872 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.11 -33.77 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.93 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -74.07 -34.59 64.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.911 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.6 p -62.42 -47.43 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 75.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 47.0 m -52.45 -42.62 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 71.42 111.137 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 6.0 tpt -51.82 -52.3 50.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.891 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.47 -42.36 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.873 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -54.95 -48.1 73.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.923 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -71.43 -36.61 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 72.53 110.877 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -58.49 -45.18 89.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.901 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -75.27 -37.19 61.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 72.12 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -65.61 -34.98 79.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 74.04 110.92 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.86 -35.16 68.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.42 110.903 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 54.5 mtm -85.97 -33.39 21.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.908 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.95 -35.89 77.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.14 110.872 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.08 -35.3 37.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.93 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 97.9 t 57.96 83.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 74.44 111.126 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 66.4 147.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 71.44 112.468 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -51.91 155.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 72.42 110.87 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -55.51 176.28 0.69 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 64.44 112.485 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.99 -176.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 74.12 110.902 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.76 90.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 72.34 110.819 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 24.0 m -149.9 169.62 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 75.42 111.143 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 1.8 mp -78.22 159.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 75.54 111.133 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.27 -171.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 73.35 111.134 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -169.57 114.04 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.892 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 26.9 m -76.76 -176.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.11 111.094 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 5.6 mt -89.29 -74.44 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 73.25 110.902 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.91 -171.93 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.91 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -116.1 -68.23 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.925 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -55.03 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 75.14 110.893 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 1.6 mt -65.42 -34.71 78.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 75.41 110.939 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.13 -35.08 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 72.51 111.077 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.08 -60.32 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 75.3 110.877 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -47.26 62.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.01 110.88 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -51.97 -35.55 46.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.02 110.926 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -35.93 44.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.916 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -35.97 74.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.866 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -76.13 -57.17 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.85 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -36.44 49.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.12 110.923 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.59 69.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 74.21 111.089 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -62.21 -44.65 96.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.901 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -155.72 144.5 20.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.87 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 15.3 t -175.59 167.42 3.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 74.41 111.128 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.15 -73.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 73.2 110.868 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.84 149.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.44 110.838 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -177.42 153.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 75.14 110.949 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 145.52 156.85 7.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 71.53 112.496 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -137.47 165.95 25.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 75.14 110.883 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -77.78 173.69 11.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 74.52 110.856 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -172.79 175.88 45.74 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 70.12 112.456 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -170.83 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.719 2.28 . . . . 74.05 112.319 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -105.57 -75.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.54 110.874 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.36 154.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.01 110.903 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 74.2 110.912 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.91 0.386 . . . . 74.34 110.885 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -100.37 -174.14 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.04 110.876 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -163.39 45.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 75.14 111.06 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . 60.49 175.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 74.12 111.073 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.07 -63.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.0 110.888 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 56.21 -174.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.18 145.0 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 73.11 111.14 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -48.24 82.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 71.1 110.856 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.3 ttm -57.15 -36.68 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 71.15 110.87 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -73.74 -35.65 65.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.24 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -38.34 84.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 64.41 110.861 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -74.71 -33.49 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.887 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.12 -32.86 63.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.887 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.6 -34.72 72.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.923 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -77.32 -36.02 54.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.882 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 31.7 mt -60.99 -43.01 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.11 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -72.59 -45.37 59.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.889 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.07 93.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 73.4 111.068 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.82 -45.09 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 64.34 110.911 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.45 -34.17 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.117 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -52.74 -52.23 57.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 71.35 110.897 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -75.04 -26.66 59.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.846 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.4 p -79.03 -2.73 41.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.51 110.904 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 43.8 mt -121.5 25.86 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 72.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -69.18 169.97 11.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.894 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.1 tp -84.32 -39.8 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.13 111.129 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -92.83 -31.41 15.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.881 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -111.26 36.51 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 21.6 tp -53.28 107.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 73.5 110.905 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -125.71 74.29 1.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 74.15 110.875 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 16.6 m -57.86 -28.59 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 73.32 111.122 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -52.09 -39.96 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 71.21 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -33.23 60.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.871 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 45.7 t -53.1 -58.98 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.883 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.72 -47.48 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 72.41 111.121 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.57 -35.38 41.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.11 110.925 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.0 -53.91 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 74.24 111.112 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 18.4 mt -52.23 -36.03 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.928 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -62.84 -46.08 89.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.897 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -46.4 90.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 72.41 110.902 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.59 -43.89 65.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.913 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -61.66 -34.51 75.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.42 111.063 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -36.01 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.853 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 63.5 mt -68.06 109.32 3.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 72.4 110.866 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -77.4 61.64 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.91 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -70.19 140.81 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 54.23 111.137 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -92.89 173.15 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.146 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -35.51 76.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 74.41 110.843 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -55.12 -56.46 19.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 70.25 110.903 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.43 -39.35 65.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.81 -51.28 68.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.091 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -52.36 -37.8 57.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 75.25 110.891 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -66.47 -33.98 76.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.892 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -94.91 35.68 1.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.861 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.44 -34.56 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 63.35 111.131 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.57 -48.45 74.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 65.31 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 24.1 ttp -55.28 -56.23 22.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.31 110.884 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.1 mt -52.24 -43.09 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 72.42 111.125 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 56.7 m -55.53 -39.44 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 73.22 111.121 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 90.5 m -68.14 -39.07 82.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 72.14 111.077 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 27.4 mt -54.6 -36.95 64.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 75.13 110.866 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -76.64 -28.74 56.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 75.05 110.875 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -75.68 -33.8 60.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.883 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.475 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 36.4 pt -75.14 -2.27 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 75.44 111.187 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -77.66 -34.07 53.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 64.01 110.869 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.1 -14.31 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.44 110.839 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.475 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 11.5 t80 -45.56 108.55 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 75.04 110.876 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -166.31 139.58 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.21 110.901 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 6.1 p -61.21 131.14 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 53.33 111.125 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 16.8 t -61.33 177.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.868 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.22 -40.2 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.913 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.1 -39.87 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.33 111.077 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.25 -54.48 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.31 111.122 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 17.7 ptp -62.3 -31.47 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.03 110.892 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -74.95 -37.69 61.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 73.25 110.898 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -73.96 -38.73 64.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.868 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 63.2 p -55.08 -48.76 73.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 72.43 110.856 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 57.9 m -52.81 -42.67 65.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 73.02 111.152 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -51.08 64.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 75.45 110.819 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.91 -36.91 72.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -60.08 -42.7 95.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.927 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -72.25 -41.41 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 73.14 110.921 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.65 -51.59 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.884 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -69.7 -36.83 76.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 75.33 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -60.42 -40.82 92.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -58.41 -34.45 70.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 70.12 110.934 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 38.2 mtm -85.47 -34.71 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.876 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -61.35 -37.05 81.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.888 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.56 -33.01 68.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 74.43 110.934 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 89.7 t 55.31 90.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.14 111.131 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -135.72 -75.35 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 40.42 112.487 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 53.57 78.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 75.51 110.865 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -133.15 131.38 6.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 64.41 112.464 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.03 -78.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 72.32 110.834 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 1.5 m -174.18 122.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 75.02 110.858 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 17.6 m -58.97 130.25 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 75.31 111.126 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.6 -77.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 70.31 111.109 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 51.0 p -148.7 -173.58 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 73.3 111.174 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 54.06 90.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 73.44 110.889 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 22.0 t -107.2 117.39 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 73.03 111.126 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 11.0 mp -107.75 137.03 46.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.906 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -111.08 -176.12 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 64.43 110.875 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -116.16 -67.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 73.11 110.888 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 5.1 m -66.69 -55.07 16.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.54 110.863 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 46.5 mt -65.12 -35.69 81.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 75.3 110.888 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.56 -36.66 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 72.32 111.119 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.32 -60.65 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 72.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -61.1 -37.28 82.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 75.35 110.943 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -63.57 -63.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.893 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.48 -36.09 63.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.86 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.15 -59.62 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.848 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -71.99 -43.18 65.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 75.33 110.874 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.46 -36.14 54.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 75.21 110.933 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.88 -35.53 45.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 74.2 111.109 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -97.58 -38.54 9.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.864 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.11 -170.2 2.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.93 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.41 -173.5 4.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 60.34 111.161 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.22 133.95 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 75.02 110.884 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -148.66 162.45 39.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.842 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -170.63 171.39 6.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 72.43 110.924 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 174.25 116.43 0.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 70.4 112.462 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.94 151.74 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 74.2 110.952 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -138.87 35.7 2.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 65.12 110.915 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 60.84 166.66 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 75.31 112.486 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 122.56 9.24 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.722 2.281 . . . . 72.22 112.393 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.88 -53.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 63.41 110.853 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -76.44 176.59 8.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 74.34 110.945 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 1.5 mttm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.909 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.892 0.377 . . . . 74.43 110.846 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -100.57 -174.18 2.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 75.44 110.878 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -163.29 45.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.065 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . 60.53 175.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.058 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.13 -63.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 71.4 110.859 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 56.24 -174.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.54 110.863 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.54 145.83 34.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 65.14 111.188 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -48.62 79.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 65.44 110.865 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.3 ttm -56.67 -36.89 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 74.41 110.911 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -73.66 -34.86 65.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 75.42 110.823 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -38.5 80.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.829 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -74.28 -34.78 63.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.64 -47.44 60.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 64.05 110.868 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -59.0 -30.41 67.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 71.44 110.886 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -76.14 -42.03 48.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.931 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 16.9 mt -59.71 -39.33 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.43 111.116 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -72.09 -50.76 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.846 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.08 88.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.12 111.11 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.89 -44.05 73.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.888 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.3 mt -68.69 -34.53 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 73.45 111.181 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -51.8 -52.05 51.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.876 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -75.07 -26.83 59.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.847 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -77.5 -4.01 43.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.842 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 53.9 mt -121.2 25.92 9.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 70.21 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.04 170.42 8.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.01 110.902 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 6.1 tp -84.98 -39.53 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.146 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -93.01 -31.33 14.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 71.24 110.863 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -111.48 36.67 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.891 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.6 tp -53.12 107.11 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.915 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -126.8 77.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.878 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 8.1 m -59.99 -27.04 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.02 111.091 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -51.87 -39.97 59.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.879 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -33.25 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 72.11 110.872 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 47.6 t -53.19 -59.11 4.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 73.04 110.864 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.8 mt -53.73 -47.13 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 73.42 111.191 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.88 -35.65 45.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 75.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.89 -53.55 7.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 73.15 111.074 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.1 -35.82 49.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.49 -42.7 95.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.886 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -47.89 80.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 71.12 110.896 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.4 -45.85 66.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 72.31 110.9 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.66 72.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 71.22 111.086 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -36.21 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 63.33 110.859 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.14 109.4 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 75.1 110.922 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -77.37 61.85 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 73.33 110.91 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -70.34 140.31 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 70.22 111.149 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -92.25 173.1 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 75.32 111.117 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -35.72 77.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.847 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -55.06 -55.89 25.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.91 -38.27 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.919 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.58 -51.1 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 64.44 111.082 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -52.7 -36.62 57.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 71.43 110.883 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -66.58 -34.98 79.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 71.25 110.891 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -95.09 35.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.872 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.73 -34.86 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 64.12 111.12 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.42 -47.09 76.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 26.6 ttp -55.9 -56.64 18.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.859 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 3.0 mt -51.81 -43.11 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 73.32 111.114 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 56.1 m -55.43 -38.17 68.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 75.14 111.128 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 89.5 m -69.62 -39.58 77.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 73.13 111.128 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 22.9 mt -53.99 -36.15 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.953 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -76.53 -29.07 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.41 110.885 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -75.48 -34.42 60.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.14 110.944 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.444 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 38.9 pt -74.92 -1.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 55.54 111.079 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -82.55 -32.3 28.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 71.35 110.871 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.88 -20.2 8.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.925 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.444 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -41.57 118.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.89 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -175.28 140.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.921 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.93 127.66 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 73.41 111.124 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 14.8 t -58.45 170.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 72.24 110.819 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.03 -35.3 76.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 73.54 110.887 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.5 p -60.04 -39.71 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.33 111.093 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.2 -54.13 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.43 111.097 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.2 ptp -64.61 -31.62 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.878 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.39 -40.52 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.867 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -72.78 -38.35 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.903 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 60.7 p -55.09 -49.67 71.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 75.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 90.6 m -52.68 -42.5 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 71.42 111.136 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -51.99 61.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.51 110.894 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 66.4 mt -69.99 -38.29 75.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 73.32 110.921 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -57.99 -44.57 87.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 75.05 110.939 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.01 -41.01 71.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 72.53 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -51.04 64.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 72.32 110.863 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -70.99 -37.07 72.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 72.12 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -59.87 -40.66 89.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -58.43 -34.41 70.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 62.42 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.4 mtm -85.99 -33.97 20.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.861 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -61.8 -37.19 83.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 75.14 110.874 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.3 -33.16 69.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 73.43 110.921 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 91.5 t 55.07 88.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.115 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -132.24 -73.23 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 71.44 112.487 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 58.35 96.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 72.42 110.866 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -113.43 -145.46 9.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 64.44 112.48 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.39 -61.4 2.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.771 0.319 . . . . 74.12 110.815 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 1.3 m -154.94 142.72 19.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.864 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 16.3 m -51.34 121.74 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 75.42 111.094 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 2.8 pt -133.94 -174.12 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 75.54 111.186 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 68.7 p -79.95 -177.59 6.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.35 111.153 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 63.43 85.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.891 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.06 117.56 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.11 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.39 137.46 45.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 73.25 110.86 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -111.02 -175.52 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.851 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -116.17 -68.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.875 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 5.0 m -66.86 -55.03 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 75.14 110.843 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 46.3 mt -65.13 -35.54 81.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 75.41 110.886 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.6 -36.64 46.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.51 111.092 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.53 -60.63 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.872 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.78 -37.83 83.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.01 110.911 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -63.21 -63.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.02 110.852 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.68 -36.49 64.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.943 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -59.55 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 73.34 110.841 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -71.76 -43.36 65.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.854 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -36.13 53.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.905 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.67 -36.07 44.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 74.21 111.074 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -97.09 -38.77 9.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.874 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -169.86 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.917 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -161.17 -176.22 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 74.41 111.124 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.93 149.6 23.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 73.2 110.884 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -160.87 163.33 32.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 72.44 110.835 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -172.96 171.78 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.453 . . . . 75.14 110.894 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 172.67 114.8 0.35 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 71.53 112.481 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.52 151.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 75.14 110.912 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -138.97 35.81 2.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 74.52 110.945 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 60.91 166.66 0.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 70.12 112.493 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 122.58 9.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 74.05 112.338 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -172.89 -53.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 71.54 110.898 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -76.49 176.53 8.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.01 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 1.5 mttm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.2 110.926 179.86 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.868 0.366 . . . . 74.34 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -140.65 152.31 45.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 73.04 110.893 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -171.08 176.46 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.066 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -159.31 -74.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.12 111.093 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 13.7 m 60.62 97.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -143.93 168.87 18.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 71.32 110.94 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.39 175.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 73.11 111.11 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -60.46 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 71.1 110.845 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -39.05 64.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 71.15 110.898 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.34 -34.72 65.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.903 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 8.6 t -66.47 -39.7 88.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 64.41 110.871 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -33.36 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.904 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.45 -47.64 59.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 73.52 110.876 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -57.6 -30.94 65.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.902 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -77.43 -42.15 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.889 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 19.3 mt -59.41 -41.67 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.079 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -72.09 -49.15 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 71.44 110.865 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.45 93.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.4 111.103 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.82 -54.03 47.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 64.34 110.842 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 44.1 mt -56.26 -33.81 38.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.32 111.112 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -61.91 -52.21 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.877 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.69 -31.19 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 73.11 110.901 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 16.3 m -74.48 -26.72 60.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 73.51 110.854 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 21.2 mt -93.96 26.71 3.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 72.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.98 171.03 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.869 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.43 -39.14 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.13 111.143 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -92.17 -32.09 15.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 72.25 110.856 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -105.96 36.33 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.876 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 17.5 tp -55.96 107.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 73.5 110.946 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.83 75.68 1.59 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.239 -0.437 . . . . 74.15 110.848 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 5.9 m -51.56 -28.95 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 73.32 111.152 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -51.75 -38.29 54.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 71.21 110.884 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -76.11 -35.33 59.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.85 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 25.9 t -54.84 -59.51 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.851 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 2.7 mp -53.28 -46.16 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 72.41 111.131 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.77 -36.66 48.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 74.11 110.935 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.09 -51.51 10.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 74.24 111.096 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 22.1 mt -51.88 -35.42 45.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 75.53 110.92 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -61.7 -46.67 88.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.875 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -61.86 -47.28 85.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.84 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.41 -45.15 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 75.32 110.935 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -64.0 -34.66 78.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.106 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -36.28 63.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 74.33 110.863 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.44 116.1 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 72.4 110.911 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.21 62.48 2.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.903 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.26 138.81 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 54.23 111.133 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -98.85 173.82 6.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 73.21 111.126 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.19 -38.37 79.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 74.41 110.919 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -55.18 -56.96 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 70.25 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -67.07 -38.82 86.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.928 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.98 -45.11 91.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.33 111.114 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.84 -36.13 47.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.876 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -75.76 -35.67 60.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.912 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -95.5 35.51 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.904 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.8 p -56.8 -36.66 70.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 63.35 111.217 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -46.89 81.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 65.31 110.896 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -55.43 -36.1 66.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.882 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 10.1 mt -69.97 -39.89 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 72.42 111.14 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 55.3 m -58.51 -42.82 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 73.22 111.167 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -61.96 -38.46 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 72.14 111.153 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.79 -35.89 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.937 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -76.09 -28.59 57.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.908 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -75.47 -35.6 60.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 73.14 110.856 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.464 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 35.5 pt -73.29 -1.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.44 111.146 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -79.0 -34.43 44.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 64.01 110.867 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.14 -18.81 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.867 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.2 OUTLIER -40.8 118.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.04 110.865 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -174.56 135.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.917 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.49 132.86 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 53.33 111.11 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 30.1 t -69.7 172.77 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.886 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.25 -33.74 65.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 74.23 110.918 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.13 -41.81 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.33 111.122 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.72 -48.87 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 74.31 111.176 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 12.7 mtm -56.14 -34.23 65.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.883 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.16 -53.13 13.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.931 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -59.93 -40.95 90.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.907 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 93.1 p -54.94 -43.34 73.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.905 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 16.9 m -59.25 -52.78 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 73.02 111.185 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -42.5 41.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.904 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 55.2 mt -75.35 -35.15 61.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 74.02 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -58.92 -63.28 1.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.959 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -61.15 -33.39 73.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.14 110.893 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -53.06 -45.77 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.905 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -75.36 -49.91 17.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.867 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -52.08 -37.99 55.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 75.43 110.894 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -51.9 -35.45 45.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 70.12 110.856 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 57.0 mtm -85.39 -35.27 21.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.856 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -63.28 -37.12 86.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 65.35 110.913 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 2.0 pp -75.99 -35.28 59.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.906 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 9.8 p -98.6 30.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.12 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -84.04 -49.78 4.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 40.42 112.492 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -100.04 124.07 45.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 75.51 110.867 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 62.7 -139.42 45.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 64.41 112.481 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.62 -54.0 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 72.32 110.877 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.35 154.73 14.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 75.02 110.833 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 33.0 m -142.81 153.64 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 75.31 111.104 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.22 138.22 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 70.31 111.088 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 64.16 93.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 73.3 111.146 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.94 174.17 12.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 73.44 110.926 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 6.8 m -130.9 68.6 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 73.03 111.096 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.05 -73.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.934 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -87.67 -36.43 17.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 64.43 110.91 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -94.9 13.43 24.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.11 110.878 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.03 -36.49 50.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.54 110.831 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -36.7 73.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 75.3 110.87 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.21 99.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 72.32 111.087 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -59.79 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 72.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -63.27 -36.17 82.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 75.35 110.914 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -52.04 -55.93 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.901 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -36.69 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.907 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -65.28 -59.72 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.51 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.33 -40.46 68.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 75.33 110.851 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.55 -35.71 75.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 75.21 110.884 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.42 -38.13 52.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 74.2 111.088 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -91.47 -49.06 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.902 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -87.4 116.49 25.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 73.14 110.931 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.0 -78.03 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 60.34 111.12 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.32 -175.9 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 75.02 110.903 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -132.86 -171.61 2.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 75.11 110.839 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -153.46 137.88 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.947 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -113.64 -142.78 8.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.728 . . . . 70.4 112.5 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.2 87.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 74.2 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -173.97 144.86 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 65.12 110.893 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 145.74 165.94 11.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 75.31 112.5 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.13 13.17 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.228 . . . . 72.22 112.341 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.27 -75.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 63.41 110.905 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 52.29 -170.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.877 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 9.9 tttt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 73.12 110.93 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.867 0.365 . . . . 74.43 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -140.65 152.51 45.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.9 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -171.05 176.41 4.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.096 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -159.25 -75.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 75.44 111.112 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 13.7 m 61.0 97.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 71.4 110.878 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -143.77 169.32 17.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 74.54 110.873 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.31 176.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 65.14 111.208 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -61.77 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 65.44 110.78 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -37.14 61.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.862 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.99 -33.4 63.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 8.5 t -68.85 -37.25 79.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.845 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -32.49 57.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 71.24 110.886 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.24 -41.38 61.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 64.05 110.891 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -63.1 -36.05 82.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.44 110.908 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -76.97 -36.32 56.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.838 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 28.7 mt -63.14 -42.61 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.43 111.121 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -72.09 -43.89 64.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.86 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 75.12 111.071 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.05 -52.19 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 74.45 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.0 mt -57.89 -33.61 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 73.45 111.155 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -62.27 -52.27 64.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 74.42 110.944 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.93 -31.3 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 15.8 m -74.6 -26.78 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.843 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 21.4 mt -93.73 26.67 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 70.21 110.91 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.13 171.05 7.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 75.01 110.887 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.7 tp -84.41 -38.92 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.112 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.53 -31.98 15.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 71.24 110.844 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -105.85 36.42 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.909 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.11 107.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.914 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.95 75.62 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.845 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 6.2 m -51.51 -29.13 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 64.02 111.1 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -51.63 -38.29 54.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.909 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -76.13 -35.46 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 72.11 110.878 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 29.5 t -54.55 -59.02 5.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 73.04 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 2.7 mp -53.41 -44.81 56.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.42 111.147 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.96 -37.28 52.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.99 -51.01 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.15 111.124 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 19.8 mt -52.07 -35.52 47.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.93 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -63.03 -46.66 86.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.924 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -61.03 -47.23 87.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.9 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -52.61 -49.2 65.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 72.31 110.887 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.88 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.081 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -36.62 63.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 63.33 110.821 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.28 116.66 6.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 75.1 110.895 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.97 61.16 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 73.33 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.34 138.38 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.22 111.121 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -98.2 173.82 6.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 75.32 111.134 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.25 -38.41 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.31 110.887 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -55.19 -56.56 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.97 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -67.22 -38.44 85.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.945 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.38 -44.86 92.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 64.44 111.089 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -51.77 -36.0 45.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.922 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -75.87 -35.91 59.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 71.25 110.912 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -95.57 35.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.855 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 3.0 p -57.02 -35.69 69.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 64.12 111.131 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.51 -46.35 83.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.92 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -55.8 -36.2 67.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 75.43 110.885 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 9.6 mt -69.68 -39.85 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.141 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 52.6 m -59.47 -41.53 89.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 75.14 111.116 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.7 m -63.51 -36.1 82.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.13 111.126 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 27.6 mt -58.95 -36.05 74.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.908 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -75.95 -28.82 58.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.871 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -74.89 -35.97 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 72.14 110.882 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.48 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 33.6 pt -73.38 -1.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 55.54 111.159 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -79.22 -34.37 42.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.83 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.11 -18.78 7.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.842 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.48 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.2 OUTLIER -40.9 119.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.935 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -174.63 135.77 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.879 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 13.5 p -62.58 132.45 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 73.41 111.112 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 31.4 t -69.12 172.65 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.834 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.29 -33.8 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 73.54 110.892 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.13 -41.66 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.33 111.142 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 96.9 mt -73.71 -48.55 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 74.43 111.116 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.6 mtm -56.68 -33.8 66.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.813 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.63 -52.53 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.848 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -60.47 -39.21 86.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 74.54 110.889 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 79.1 p -54.96 -47.3 74.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 32.4 m -57.09 -49.47 75.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 71.42 111.167 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -43.32 60.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.848 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.43 -40.38 61.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.915 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -59.41 -58.01 10.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.887 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.09 -35.23 74.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 72.53 110.852 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -56.95 -51.52 68.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.878 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -65.28 -51.23 62.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 72.12 110.869 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -52.21 -37.59 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.04 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -52.4 -35.36 51.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 62.42 110.894 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 56.3 mtm -85.5 -35.47 21.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.87 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -62.78 -36.95 84.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 75.14 110.846 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 2.0 pp -76.01 -35.14 59.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.925 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 9.9 p -98.51 31.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.107 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -84.54 -51.65 3.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 71.44 112.479 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.15 125.1 44.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 72.42 110.922 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 61.47 -139.69 47.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.747 . . . . 64.44 112.47 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.17 -53.81 3.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 74.12 110.9 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.38 154.98 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.856 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 33.0 m -143.02 153.83 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 75.42 111.141 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.32 138.58 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 75.54 111.148 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 63.79 94.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 73.35 111.148 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.2 174.15 13.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.941 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 6.8 m -130.86 68.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 74.11 111.122 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.93 -74.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 73.25 110.897 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -87.48 -36.54 17.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 73.41 110.899 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -94.71 13.43 24.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.843 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -36.58 50.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.871 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -36.46 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 75.41 110.904 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.27 99.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 72.51 111.136 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -59.75 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.871 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -63.4 -36.08 82.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.94 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -52.14 -55.12 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 75.02 110.864 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -37.17 75.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.1 110.948 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -65.11 -59.76 3.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.879 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -54.7 -38.44 67.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.891 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -37.13 73.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 72.12 110.875 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.73 -41.32 61.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 74.21 111.102 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -92.92 -38.29 11.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.904 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -84.38 107.64 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.927 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.5 -169.87 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 74.41 111.117 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.84 168.88 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.869 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -118.33 -171.78 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.887 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -149.99 139.07 21.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.927 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -111.64 -139.53 7.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 71.53 112.465 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.12 87.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 75.14 110.896 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -174.34 144.81 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.911 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 145.46 165.76 11.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 70.12 112.535 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -35.11 13.18 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 74.05 112.332 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.26 -75.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 71.54 110.921 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 52.24 -169.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 74.01 110.874 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 9.9 tttt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 74.2 110.901 179.876 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.824 0.345 . . . . 74.34 110.835 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -157.6 95.22 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 73.04 110.9 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -146.75 140.53 25.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 75.14 111.055 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -148.0 170.43 17.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.087 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 4.8 p -143.31 163.79 32.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -128.04 -73.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 71.32 110.901 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.28 165.64 11.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 73.11 111.163 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.89 -60.04 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 71.1 110.849 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -36.07 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.15 110.863 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.79 -46.72 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.884 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 14.6 t -60.11 -39.05 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 64.41 110.861 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -75.26 -33.95 61.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.87 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 10.9 mt -69.07 -47.86 64.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.924 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -26.56 43.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.33 110.913 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -76.97 -38.12 53.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.875 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 56.5 mt -61.92 -41.52 91.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.129 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -71.82 -42.79 66.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.851 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.36 -44.67 86.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 73.4 111.122 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -55.15 -50.67 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 43.0 mt -57.29 -35.36 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 73.32 111.108 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -47.28 83.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.897 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -75.73 -30.57 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 73.11 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.7 p -78.03 -3.06 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.833 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 51.8 mt -121.45 26.03 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 72.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 170.67 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.885 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.9 tp -84.52 -41.0 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 75.13 111.127 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -92.16 -32.36 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.851 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -109.88 36.34 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.889 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 17.3 tp -53.51 107.61 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 73.5 110.908 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -123.64 69.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.869 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 6.8 m -52.38 -30.06 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 73.32 111.117 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -52.21 -42.06 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.877 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -35.56 59.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.872 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 42.4 t -53.96 -37.18 63.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 75.13 110.884 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.1 mt -73.76 -50.24 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 72.41 111.125 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.53 -34.51 36.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.937 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.65 -53.8 7.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.109 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 70.5 mt -52.03 -43.87 63.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 75.53 110.882 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -63.24 -35.01 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.875 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.96 -46.21 82.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.884 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -51.39 -53.19 39.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.92 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.93 -24.97 41.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.099 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.25 26.79 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.88 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 22.4 mt -111.66 -30.67 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 72.4 110.877 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 49.99 50.26 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.872 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.73 147.3 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 54.23 111.106 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -82.63 173.9 11.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 73.21 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 4.3 ttt -64.16 -38.09 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 74.41 110.855 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -55.15 -55.54 30.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 70.25 110.968 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -72.75 -35.69 67.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.899 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.66 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.092 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -51.6 -51.54 54.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.931 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -51.97 -33.95 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 75.54 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -95.15 35.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.854 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -35.22 69.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 63.35 111.119 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.84 -44.18 90.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 65.31 110.904 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 49.1 ttp -55.35 -44.88 76.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.922 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 5.7 mt -60.73 -42.01 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 72.42 111.154 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 7.3 m -54.99 -37.04 66.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 73.22 111.181 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.8 m -70.28 -35.42 73.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 72.14 111.138 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.95 -36.24 78.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 75.13 110.903 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -28.78 56.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.05 110.886 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -75.91 -35.42 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.875 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.459 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 41.0 pt -73.11 -1.88 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 75.44 111.138 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -33.63 45.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 64.01 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -20.48 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.874 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.459 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -42.43 113.67 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.04 110.873 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 31.6 pttt -175.63 133.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 2.2 m -51.9 145.94 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 53.33 111.096 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 40.7 t -87.87 157.32 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 74.43 110.882 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -52.24 -35.65 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 74.23 110.879 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -58.84 -40.0 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 73.33 111.117 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 80.1 mt -73.25 -50.68 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.31 111.093 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 11.5 mtm -60.06 -32.35 70.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.919 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -75.68 -45.72 35.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -65.03 -34.83 79.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 75.21 110.91 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.8 p -58.99 -52.27 66.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 72.43 110.842 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 65.1 m -52.47 -43.64 65.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 73.02 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -51.93 -49.06 63.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 75.45 110.895 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 50.4 mt -73.57 -38.39 65.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.02 110.911 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -57.02 -51.77 67.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.938 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -66.48 -36.22 82.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.91 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -54.97 -49.54 71.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.922 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -74.43 -36.11 63.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 75.33 110.893 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -57.18 -50.72 71.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 75.43 110.926 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.75 -39.24 65.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 70.12 110.913 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 10.0 mtm -75.2 -35.12 61.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.876 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.66 -35.96 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 65.35 110.89 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.3 pp -85.57 -35.03 21.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.933 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 98.3 t 59.25 94.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.14 111.134 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 147.04 142.74 3.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 40.42 112.482 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -144.86 118.56 9.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 75.51 110.855 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -157.84 -46.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 64.41 112.482 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.15 167.91 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 72.32 110.863 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.51 120.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.02 110.849 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -159.61 63.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 75.31 111.106 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 28.2 mt 63.06 107.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.175 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 96.4 m 60.68 104.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 73.3 111.189 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -62.77 142.31 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.92 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 5.1 m -122.73 76.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 73.03 111.157 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 12.2 mt -139.99 92.72 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.876 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -140.45 145.47 37.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 64.43 110.918 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -116.03 -67.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.905 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 7.2 m -61.76 -53.89 49.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 75.54 110.885 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.21 -35.77 81.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.931 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.56 -36.63 46.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 72.32 111.144 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.15 -58.84 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.23 -36.08 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 75.35 110.88 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -52.04 -38.37 56.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 73.33 110.82 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -52.03 -41.53 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.91 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -44.42 15.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.891 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.57 -58.67 6.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.874 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.63 -36.4 64.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.849 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.35 -35.86 52.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.2 111.088 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -89.39 -36.9 15.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.902 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 152.69 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 73.14 110.885 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.6 t -119.95 170.3 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 60.34 111.17 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.57 179.0 4.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 75.02 110.883 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.82 176.89 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 75.11 110.87 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -82.31 56.99 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 72.43 110.923 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -48.71 -85.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 70.4 112.491 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.81 -177.84 6.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 74.2 110.904 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.62 -67.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 65.12 110.895 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 78.79 169.34 36.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.772 -0.727 . . . . 75.31 112.531 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -171.16 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.724 2.283 . . . . 72.22 112.316 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -53.82 171.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 63.41 110.925 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.23 177.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.915 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 73.12 110.886 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.893 0.378 . . . . 74.43 110.839 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -157.52 95.04 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.883 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -146.66 140.33 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.118 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -147.75 170.45 17.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 75.44 111.075 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 4.8 p -143.62 163.68 32.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 71.4 110.887 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -127.89 -72.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.877 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.31 165.79 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 65.14 111.174 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.22 -59.29 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 65.44 110.872 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -36.34 60.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 74.41 110.854 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.25 -45.54 55.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.42 110.878 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 14.8 t -61.32 -39.54 90.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.852 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -75.36 -34.13 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 71.24 110.899 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.8 -48.28 55.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 64.05 110.923 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -26.19 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.897 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -76.87 -37.4 55.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 73.31 110.849 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 43.3 mt -62.87 -41.01 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.43 111.139 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -70.79 -40.86 72.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.874 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.24 -44.21 76.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.12 111.095 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -55.35 -50.2 70.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 74.45 110.895 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 42.4 mt -57.68 -35.37 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 73.45 111.093 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -46.99 83.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.841 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -75.73 -30.82 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 75.2 110.908 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 7.3 p -77.81 -3.16 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.875 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 53.8 mt -121.35 25.9 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 70.21 110.904 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 170.89 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.861 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.9 tp -84.69 -40.86 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.33 111.116 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -92.46 -32.38 14.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 71.24 110.852 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -109.66 36.2 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 75.13 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 16.9 tp -53.5 107.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.916 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -123.29 69.37 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.843 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 7.4 m -52.02 -30.49 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 64.02 111.122 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -52.25 -42.19 63.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -35.52 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 72.11 110.868 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 43.1 t -53.63 -38.03 63.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.04 110.86 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.0 mt -73.11 -49.23 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 73.42 111.117 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.9 -35.49 45.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.64 -53.79 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 73.15 111.089 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 70.9 mt -52.21 -42.96 63.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.931 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.19 -35.83 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.848 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -45.66 89.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 71.12 110.883 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.88 -52.14 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.878 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -54.96 -33.23 62.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 71.22 111.084 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -28.75 64.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 63.33 110.807 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 41.3 mt -91.05 95.17 9.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 75.1 110.9 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -70.7 76.28 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.891 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.5 p -78.49 142.41 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 70.22 111.123 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.7 t -80.44 174.1 11.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 75.32 111.127 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.2 ttt -63.57 -37.78 88.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.817 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -55.3 -54.58 41.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.923 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -73.85 -35.93 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.859 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.44 92.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 64.44 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -51.84 -50.5 60.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 71.43 110.912 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -52.52 -34.41 49.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 71.25 110.88 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -95.08 35.52 1.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.828 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.8 -35.34 68.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 64.12 111.142 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.88 -42.44 89.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.897 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 43.5 ttp -55.43 -48.02 75.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 75.43 110.901 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 5.8 mt -58.37 -41.93 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 73.32 111.109 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 7.4 m -54.45 -37.32 65.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 75.14 111.128 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 89.4 m -71.27 -36.87 71.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 73.13 111.133 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.83 -35.63 75.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.11 110.889 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -28.89 55.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 72.41 110.917 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -76.01 -35.2 59.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 72.14 110.887 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.463 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 41.0 pt -73.06 -1.83 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 55.54 111.119 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -33.66 44.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 71.35 110.888 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.75 -20.36 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.849 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.463 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.7 OUTLIER -42.59 113.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 74.51 110.868 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -175.52 133.75 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.888 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.0 m -51.69 146.24 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.129 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.6 t -88.29 157.0 18.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.842 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -51.97 -35.55 46.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 73.54 110.887 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.04 -39.84 79.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 75.33 111.158 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 81.4 mt -73.14 -50.64 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.43 111.157 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.5 mtm -60.05 -32.75 71.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 75.13 110.86 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -75.23 -45.99 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.895 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -64.93 -34.29 78.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 74.54 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -59.65 -51.41 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 75.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 63.7 m -52.55 -43.55 65.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 71.42 111.154 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.0 tpt -51.6 -51.27 56.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.51 110.905 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 52.3 mt -72.02 -37.59 69.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.922 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -56.9 -52.95 63.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 75.05 110.887 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -66.79 -37.2 84.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.53 110.866 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -53.36 -49.35 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.868 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -74.74 -35.93 62.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 72.12 110.84 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -57.69 -50.51 72.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 74.04 110.905 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -39.66 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 62.42 110.87 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -75.05 -35.2 61.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.851 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.36 -35.75 76.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 75.14 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.3 pp -86.08 -35.15 20.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 73.43 110.88 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 99.0 t 59.72 95.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.121 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 147.54 142.72 3.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.725 -0.75 . . . . 71.44 112.461 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -145.91 120.75 9.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.937 0.399 . . . . 72.42 110.863 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -159.32 -39.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 64.44 112.505 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -170.26 2.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 74.12 110.834 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.1 -169.59 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.823 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 10.6 t 67.28 119.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 75.42 111.142 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 22.1 mt 65.26 153.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.54 111.121 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 12.8 t -45.87 134.96 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 73.35 111.145 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -57.82 142.14 46.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.965 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 6.3 m -123.28 66.08 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 74.11 111.168 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 12.3 mt -131.71 94.09 3.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 73.25 110.861 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -140.6 143.98 35.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.914 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.8 -67.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.907 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 7.2 m -62.73 -52.03 64.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.818 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.85 -35.83 80.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 75.41 110.891 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.67 -36.85 48.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.51 111.077 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.15 -57.9 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 75.3 110.891 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -35.94 75.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 75.01 110.947 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -52.3 -38.72 59.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 75.02 110.832 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -51.88 -41.44 61.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 75.1 110.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.55 -44.21 16.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.865 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.74 -58.73 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.868 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -36.62 64.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 72.12 110.906 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.35 -36.0 52.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 74.21 111.113 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -89.02 -36.71 15.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.889 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 153.37 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.886 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 14.6 t -119.16 173.17 7.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.41 111.127 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 -176.44 3.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 73.2 110.927 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.73 -171.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 72.44 110.853 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -70.87 -35.09 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 49.74 -105.28 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 71.53 112.474 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.57 -172.35 3.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.354 . . . . 75.14 110.905 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.27 -69.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 74.52 110.915 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 79.68 169.45 38.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 70.12 112.494 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -171.3 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.236 . . . . 74.05 112.383 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -54.46 172.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 71.54 110.886 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.11 177.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.86 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.877 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.871 0.367 . . . . 74.34 110.832 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.59 177.04 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 73.04 110.875 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -89.97 -173.21 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 75.14 111.084 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -166.62 166.6 15.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 74.12 111.086 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 31.0 p -149.95 108.34 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 73.0 110.866 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.76 104.5 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 71.32 110.884 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 57.48 35.77 26.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 73.11 111.178 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 27.9 p -70.73 -36.6 73.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.1 110.901 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -36.76 64.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 71.15 110.907 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.37 -40.74 64.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.865 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -63.62 -37.95 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.865 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -76.34 -33.43 58.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 74.54 110.869 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 23.7 mt -75.97 -32.02 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.92 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.09 -32.48 67.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.891 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -78.28 -38.49 42.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 75.43 110.873 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 45.9 mt -65.18 -38.12 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 73.14 111.143 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -72.86 -43.37 62.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.892 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.77 78.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 73.4 111.131 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.55 -42.67 71.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 64.34 110.883 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 29.4 mt -68.22 -31.88 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.109 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -61.92 -52.32 64.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 71.35 110.927 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -71.17 -29.05 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 73.11 110.925 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 71.8 m -75.48 -26.9 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 73.51 110.857 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 35.8 mt -95.1 26.67 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 72.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.36 168.83 13.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.901 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.2 tp -84.66 -37.87 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 75.13 111.143 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -90.46 -33.74 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 72.25 110.917 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.64 36.62 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.905 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 14.9 tp -56.47 107.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 73.5 110.906 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -132.97 75.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.15 110.865 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 14.0 m -51.07 -28.89 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.115 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -51.7 -38.47 55.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.915 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -76.29 -35.55 58.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.858 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 18.0 t -53.4 -58.84 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.836 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.42 -47.07 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 72.41 111.141 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.97 -34.86 44.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.903 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.24 -52.7 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 74.24 111.117 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 2.9 mp -52.01 -34.83 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 75.53 110.902 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -58.58 -49.41 77.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.937 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.19 -50.14 74.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 72.41 110.93 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.69 -37.19 49.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 75.32 110.962 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.12 72.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.084 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 23.0 t -76.52 -35.67 58.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.847 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 82.7 mt -69.1 109.81 4.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 72.4 110.898 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -77.25 60.14 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 74.43 110.917 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.63 138.81 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 54.23 111.102 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -94.0 171.67 8.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 73.21 111.103 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -35.35 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.41 110.887 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.91 -59.23 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 70.25 110.893 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.24 -36.02 80.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 71.44 110.935 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.8 -47.23 86.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 74.33 111.093 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -51.69 -37.07 49.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.891 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -35.23 68.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.941 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -95.43 35.52 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.805 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.44 -35.18 38.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 63.35 111.162 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.55 -43.81 93.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 65.31 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 42.3 ttp -55.33 -47.18 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.875 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 2.9 mt -61.11 -42.3 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 72.42 111.161 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 9.4 m -54.12 -43.84 70.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 73.22 111.137 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -62.89 -45.3 93.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 72.14 111.133 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 25.0 mt -51.87 -38.43 56.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 75.13 110.914 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -76.81 -28.23 55.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 75.05 110.896 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -75.89 -35.94 59.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.14 110.895 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . . . . . . . . . 35.9 pt -72.0 -4.65 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 75.44 111.146 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -37.68 56.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 64.01 110.832 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.05 24.39 8.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.873 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -82.55 117.97 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.04 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -172.54 149.39 2.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.932 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.51 133.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 53.33 111.138 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.2 t -67.42 169.88 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.859 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.3 -34.08 67.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.954 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.2 p -53.16 -41.33 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 73.33 111.103 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 89.9 mt -73.71 -51.01 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.31 111.136 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 16.6 mtm -55.74 -33.6 64.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.03 110.854 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.16 -51.12 16.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 73.25 110.906 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -60.58 -40.1 90.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.942 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 87.2 p -55.11 -45.46 75.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 72.43 110.877 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 33.2 m -57.87 -49.2 77.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.02 111.094 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttp -51.75 -42.54 62.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.45 110.877 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 62.1 mt -74.3 -43.21 57.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.944 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -55.19 -53.86 50.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -58.49 -35.89 72.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 73.14 110.874 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -54.91 -51.1 67.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.877 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -74.23 -38.4 63.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.87 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -58.61 -44.84 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.95 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -59.94 -36.07 76.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 70.12 110.855 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 37.8 mtm -76.3 -35.17 58.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.843 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -73.17 -36.68 66.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 65.35 110.873 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.3 pp -84.46 -35.43 23.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.947 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 93.9 t 56.65 91.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 74.14 111.168 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -179.51 -95.58 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.729 . . . . 40.42 112.46 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -161.99 165.97 26.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.369 . . . . 75.51 110.883 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -96.4 36.52 3.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 64.41 112.477 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.58 -47.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 72.32 110.86 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.81 154.98 47.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 75.02 110.872 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 19.1 m -113.76 168.94 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 75.31 111.158 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 44.9 mt -137.6 127.99 37.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 70.31 111.146 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 54.0 -173.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 73.3 111.156 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.58 140.27 35.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.891 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.63 117.7 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.109 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -61.15 2.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 73.43 110.904 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -103.54 85.28 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 64.43 110.893 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -91.6 13.42 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.911 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 6.5 t -60.46 -49.68 76.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 75.54 110.867 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.44 -43.04 99.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 75.3 110.932 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -59.55 -56.0 27.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 72.32 111.121 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -36.3 83.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 72.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -66.46 -36.12 81.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 75.35 110.891 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.02 -36.97 51.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 73.33 110.839 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.13 -47.37 65.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.91 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -82.32 -39.0 23.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.822 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.64 -59.22 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 75.33 110.905 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -36.21 83.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 75.21 110.875 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.31 79.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 74.2 111.112 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -51.59 -37.75 51.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.898 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -58.67 6.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.862 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.7 m -154.34 -44.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 60.34 111.168 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 4.9 pttp 179.46 -175.24 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 75.02 110.922 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.96 145.53 2.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.859 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -177.97 102.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 72.43 110.906 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -152.65 -146.94 4.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 70.4 112.494 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -145.57 170.58 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 74.2 110.877 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -150.79 43.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.875 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 64.57 -165.84 31.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 75.31 112.448 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -29.63 23.44 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 72.22 112.316 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 29.0 t30 63.0 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 63.41 110.893 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -166.91 -61.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.884 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.12 110.919 179.889 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.931 0.396 . . . . 74.43 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.43 177.19 8.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 75.44 110.914 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -90.29 -173.04 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 74.23 111.116 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -166.57 166.83 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.44 111.067 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 30.9 p -150.2 108.44 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 71.4 110.92 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.0 104.76 4.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.892 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 56.85 35.62 26.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 65.14 111.13 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 28.9 p -70.42 -36.36 73.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 65.44 110.828 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -37.33 63.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.891 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.99 -36.21 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -68.24 -38.13 81.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 73.54 110.833 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -75.56 -36.93 60.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.883 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 31.2 mt -71.71 -47.77 51.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 64.05 110.897 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -57.83 -30.48 65.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 71.44 110.957 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -76.92 -43.18 36.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 22.5 mt -61.82 -36.7 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 75.43 111.14 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -71.94 -50.51 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.826 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.16 93.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 75.12 111.072 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -54.66 -45.14 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 35.8 mt -66.2 -33.28 62.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 73.45 111.147 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -52.15 66.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.885 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -71.61 -26.87 62.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.4 m -76.14 -28.8 57.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 71.21 110.849 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 39.3 mt -94.58 26.53 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 70.21 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.77 169.77 9.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.892 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 4.5 tp -84.8 -39.12 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.33 111.138 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -90.3 -33.35 16.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.842 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -107.91 36.76 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 12.5 tp -56.68 107.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 74.24 110.9 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -135.16 78.74 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.857 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 4.9 m -52.84 -27.79 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 64.02 111.13 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.69 -38.69 56.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 75.41 110.87 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -76.1 -35.56 59.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.832 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 14.1 t -53.46 -59.16 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 73.04 110.886 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.34 -46.1 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.42 111.147 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.81 -35.86 45.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 75.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.83 -50.8 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 73.15 111.142 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 2.9 mp -52.24 -35.47 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.913 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.78 -48.99 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.863 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -59.08 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.861 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.05 -39.66 59.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.927 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.32 77.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 71.22 111.118 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 23.0 t -76.05 -35.78 59.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 63.33 110.821 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.59 110.19 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 75.1 110.889 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -77.65 60.02 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.931 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.39 138.89 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 70.22 111.115 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -93.64 171.97 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 75.32 111.105 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -35.69 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 75.31 110.863 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.45 -59.06 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.923 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.34 -36.29 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.47 -46.46 88.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 64.44 111.092 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -51.97 -35.81 47.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 71.43 110.925 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -35.84 65.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.25 110.905 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -96.05 35.59 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.828 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -35.5 59.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 64.12 111.133 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.94 -39.67 82.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 75.43 110.859 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 43.0 ttp -58.51 -47.08 85.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.871 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 3.1 mt -62.92 -40.01 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.32 111.166 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 9.1 m -54.36 -40.34 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 75.14 111.153 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.7 m -68.11 -42.69 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 73.13 111.124 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 45.8 mt -51.15 -39.84 57.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 75.11 110.877 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -76.02 -28.52 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 72.41 110.869 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -74.81 -36.04 62.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 72.14 110.894 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.417 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 34.1 pt -73.51 -2.49 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 55.54 111.138 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -38.73 31.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.35 110.885 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.39 26.04 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.858 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.417 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.0 OUTLIER -87.47 122.26 30.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.861 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -175.1 154.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.877 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 17.0 m -82.6 133.27 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 73.41 111.145 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 38.8 t -66.28 169.43 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 72.24 110.868 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.17 -33.95 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 73.54 110.952 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.5 p -53.66 -41.65 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 75.33 111.093 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 86.9 mt -70.73 -51.4 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.088 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.1 mtm -58.26 -32.05 68.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.859 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.14 -53.47 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.903 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -58.82 -38.71 79.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.883 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.3 p -55.35 -51.27 67.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 28.7 m -53.81 -48.55 69.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 71.42 111.149 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttp -51.11 -42.8 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.51 110.854 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 61.9 mt -74.46 -46.67 38.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.905 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -52.52 -53.9 39.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.05 110.925 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -58.03 -37.73 74.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 72.53 110.878 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -54.34 -51.67 64.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.93 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -75.16 -36.06 61.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.865 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -59.31 -43.46 92.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 74.04 110.856 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -61.79 -35.01 76.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 62.42 110.902 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.1 mtm -76.09 -35.08 59.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.875 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -72.88 -36.96 67.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.888 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.44 -34.92 23.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 73.43 110.866 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 93.4 t 56.64 91.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 74.44 111.129 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -179.52 -95.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 71.44 112.495 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -162.23 166.07 25.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 72.42 110.913 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -96.39 36.55 3.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 64.44 112.441 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.42 -47.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.349 . . . . 74.12 110.846 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.72 154.93 47.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.866 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.66 169.19 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 75.42 111.138 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 44.8 mt -137.74 128.04 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 75.54 111.13 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.89 -173.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.35 111.129 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.57 140.21 35.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.927 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 43.5 t -69.71 117.54 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 74.11 111.143 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.67 -60.73 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 73.25 110.924 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -103.57 85.47 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.866 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -92.23 13.33 19.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.887 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 6.3 t -60.52 -49.56 77.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 75.14 110.829 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.76 -42.58 99.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.937 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -59.72 -55.72 30.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.51 111.125 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -36.22 83.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.3 110.867 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -66.61 -36.13 81.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 75.01 110.949 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -36.3 54.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 75.02 110.873 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.41 -47.38 66.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.1 110.928 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -82.63 -39.06 22.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.862 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -53.87 -58.95 5.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 75.43 110.884 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.49 -36.13 82.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.905 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -62.02 -34.94 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.21 111.086 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -51.84 -39.7 59.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 73.42 110.848 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -73.46 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.868 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 15.0 m -140.83 66.66 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 74.41 111.133 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 6.2 pttp 45.74 -164.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 73.2 110.898 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.41 157.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.44 110.868 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -177.73 105.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.903 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -152.91 -148.46 4.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.681 -0.771 . . . . 71.53 112.43 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -144.29 173.01 12.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 75.14 110.883 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -147.35 36.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 74.52 110.874 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 55.09 -178.9 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 70.12 112.514 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 75.18 1.23 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.713 2.275 . . . . 74.05 112.357 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -49.83 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 71.54 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -159.49 -63.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.01 110.865 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 74.2 110.883 179.878 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.863 0.363 . . . . 74.34 110.848 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -48.89 125.08 9.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 73.04 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . 62.4 165.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 75.14 111.078 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -178.32 176.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 74.12 111.101 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.72 154.71 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.0 110.903 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -134.27 154.94 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.861 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 63.42 101.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 73.11 111.136 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 60.1 p -63.09 -47.39 83.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 71.1 110.847 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.5 tpt -54.55 -36.89 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 71.15 110.931 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.25 -41.36 63.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.855 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 72.6 m -63.32 -37.96 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.875 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -76.49 -33.74 58.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.829 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 15.6 mt -75.34 -33.32 61.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.916 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -33.05 70.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.91 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -78.87 -37.68 39.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 75.43 110.847 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 45.6 mt -64.32 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.14 111.095 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -72.16 -39.75 68.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.916 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.7 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.4 111.072 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.94 -38.61 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 64.34 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 53.2 mt -68.58 -34.4 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.166 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -60.7 -44.48 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 71.35 110.931 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -75.62 -31.3 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.927 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 23.1 p -81.32 -1.03 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 73.51 110.858 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 26.5 mt -121.29 26.32 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 72.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -72.45 170.08 15.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 73.13 110.883 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.3 tp -84.0 -37.66 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 75.13 111.118 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.56 -29.97 15.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.882 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -112.44 36.26 3.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 74.44 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 20.8 tp -53.36 107.3 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.5 110.954 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -127.81 69.89 1.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.15 110.819 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 6.1 m -51.64 -30.0 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 73.32 111.151 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -52.16 -40.78 61.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 71.21 110.867 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -75.8 -33.65 60.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.87 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 48.6 t -53.13 -51.02 63.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.907 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -61.71 -46.76 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 72.41 111.185 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -52.02 -34.71 44.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.841 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.76 -54.25 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.24 111.089 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.9 mt -52.57 -36.99 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 75.53 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.63 -49.04 77.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.877 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.54 -41.01 98.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 72.41 110.888 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -54.67 -37.33 65.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.899 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.74 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.42 111.137 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -36.85 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.843 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 49.1 mt -64.94 111.93 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 72.4 110.919 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.81 76.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.925 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -88.27 144.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 54.23 111.126 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -101.72 173.85 6.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 73.21 111.192 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -38.3 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -51.93 -59.27 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 70.25 110.865 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -67.58 -35.98 80.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.873 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.4 78.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.08 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.8 -36.01 46.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.926 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -72.45 -34.75 67.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 75.54 110.874 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -95.39 35.67 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.85 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -35.32 51.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 63.35 111.147 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -60.85 -48.21 82.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 65.31 110.89 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 47.5 ttp -55.37 -39.99 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.902 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 4.6 mt -70.05 -37.96 73.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.122 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 11.6 m -62.61 -43.09 99.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.162 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 87.2 m -62.2 -34.72 76.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 72.14 111.143 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 43.4 mt -58.16 -36.61 73.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 75.13 110.921 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -75.97 -28.97 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 75.05 110.893 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -74.61 -35.35 62.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.876 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.421 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 34.7 pt -74.61 -1.24 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -32.29 29.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.862 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -20.24 7.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.845 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.421 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -41.28 121.34 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 75.04 110.868 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.6 130.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 74.21 110.905 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 7.7 m -61.2 131.34 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 53.33 111.135 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 34.9 t -66.65 166.3 13.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.858 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.23 -36.54 83.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.949 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.5 p -54.04 -39.86 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 73.33 111.114 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 93.3 mt -69.24 -47.25 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.31 111.112 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.9 mtm -64.4 -32.77 74.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 74.03 110.886 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -53.75 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.897 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -60.69 -39.33 88.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.909 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 55.8 p -54.95 -48.88 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.853 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 31.3 m -56.02 -49.48 73.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 73.02 111.185 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.4 ttp -50.58 -44.26 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 75.45 110.888 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 59.3 mt -74.32 -39.39 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 74.02 110.914 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -60.07 -60.26 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.959 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -58.94 -35.06 72.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.915 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -54.85 -53.71 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.863 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -69.68 -37.91 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.924 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -55.54 -44.51 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 75.43 110.86 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -56.3 -35.22 67.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 70.12 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 19.5 mtm -75.42 -34.98 61.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.841 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -71.62 -36.98 70.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 65.35 110.844 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.1 pp -84.63 -35.15 22.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.904 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 97.3 t 57.88 90.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 74.14 111.127 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 173.62 125.28 0.83 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 40.42 112.533 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.41 138.13 56.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 75.51 110.848 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 178.75 35.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 64.41 112.507 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.32 -179.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 72.32 110.863 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.31 114.91 22.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.842 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 18.9 m -150.61 -179.66 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 75.31 111.072 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 1.1 pt -119.81 165.22 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 70.31 111.12 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 64.15 43.93 4.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 73.3 111.138 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.04 136.63 37.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.91 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 19.7 m -87.54 150.7 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 73.03 111.094 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.16 -46.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.88 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -58.2 174.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 64.43 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -115.9 -67.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.897 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 1.5 t -63.23 -50.89 68.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.895 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.1 -36.02 79.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 75.3 110.934 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.71 -35.31 42.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 72.32 111.117 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.27 -37.85 71.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -60.86 -55.93 27.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 75.35 110.937 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -58.05 -36.8 73.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.885 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -47.08 64.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.936 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -82.63 -45.1 14.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 75.51 110.851 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -52.13 -59.28 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.884 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -36.06 82.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.946 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.89 -36.0 47.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.2 111.113 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -45.46 72.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.858 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.13 102.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.891 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.42 117.49 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 60.34 111.139 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.17 104.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.02 110.903 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -99.22 159.33 15.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.837 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -116.21 177.49 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 72.43 110.872 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 135.02 102.74 0.72 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 70.4 112.501 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -152.62 117.37 5.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.832 0.349 . . . . 74.2 110.944 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 tttm 52.57 -170.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 65.12 110.943 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 138.12 -175.04 21.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 75.31 112.499 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 124.02 10.69 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.266 . . . . 72.22 112.38 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -105.17 93.99 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 63.41 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.42 -59.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 74.34 110.901 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.895 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.844 0.354 . . . . 74.43 110.823 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 55.09 93.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.927 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . 63.47 165.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.115 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -177.3 178.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.065 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.49 155.24 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.4 110.87 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -133.53 155.26 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.91 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 63.72 102.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 65.14 111.097 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 59.6 p -64.31 -48.84 74.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 65.44 110.865 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.6 tpt -53.52 -36.79 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.862 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -73.43 -40.49 64.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.863 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 72.5 m -64.05 -37.52 87.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.54 110.904 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -76.74 -33.94 58.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 71.24 110.844 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.4 -34.76 61.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 64.05 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.68 -33.56 72.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 71.44 110.902 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -78.44 -37.4 43.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.849 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 48.5 mt -65.74 -39.82 85.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 75.43 111.165 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -71.85 -39.63 69.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.894 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.37 78.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 75.12 111.096 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.19 -38.92 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.45 110.864 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.76 -34.62 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 73.45 111.167 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -61.6 -43.46 98.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.869 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -75.72 -32.13 59.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.2 110.89 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 30.6 p -81.37 -0.82 42.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 71.21 110.871 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 26.2 mt -120.58 26.16 9.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 70.21 110.868 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.69 170.45 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 75.01 110.922 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.32 -38.32 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.11 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -92.59 -31.63 15.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.846 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -111.0 36.33 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 75.13 110.88 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.0 tp -53.42 107.37 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.949 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -127.1 70.3 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.87 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 15.7 m -51.84 -30.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 64.02 111.103 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -52.06 -40.61 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.921 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -75.76 -34.17 60.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 72.11 110.878 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 48.4 t -53.15 -50.94 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 73.04 110.895 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -61.22 -45.84 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 73.42 111.077 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -51.92 -35.93 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.56 -52.74 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.15 111.087 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 14.5 mt -52.22 -35.49 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.923 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.2 -49.17 78.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.849 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -45.09 95.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.89 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -52.44 -36.42 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.938 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.74 -34.59 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 71.22 111.101 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.03 -36.24 64.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 63.33 110.835 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.84 112.93 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 75.1 110.931 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -75.11 75.54 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.915 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.7 p -87.61 144.15 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 70.22 111.171 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -101.7 173.79 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.32 111.173 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -38.39 80.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 75.31 110.888 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -51.95 -59.2 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -67.2 -36.1 81.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.87 76.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 64.44 111.069 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.91 -35.98 47.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 71.43 110.902 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -71.78 -34.96 69.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 71.25 110.877 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -94.97 35.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 74.34 110.858 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -35.45 40.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 64.12 111.143 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.07 -49.01 79.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.901 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 47.0 ttp -55.39 -40.66 71.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.863 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.72 -40.79 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 73.32 111.159 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 12.4 m -62.24 -44.47 96.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.155 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.4 m -59.5 -37.19 77.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 73.13 111.15 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 23.1 mt -58.53 -35.71 72.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.927 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -76.7 -28.75 55.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.883 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -74.91 -33.99 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.88 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.477 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 33.5 pt -75.38 -1.73 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 55.54 111.093 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -34.65 54.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.35 110.856 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.66 -14.19 8.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.855 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.477 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 5.6 t80 -45.19 113.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.51 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.69 133.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.931 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.5 p -59.54 135.49 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 73.41 111.127 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 36.5 t -72.58 170.68 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.846 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -71.02 -34.79 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 73.54 110.897 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.42 -41.9 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 75.33 111.106 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 47.6 mt -73.18 -49.87 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.089 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.1 mtm -55.86 -31.92 63.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.86 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.2 -53.4 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -59.3 -39.68 83.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.941 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 97.2 p -56.37 -43.54 79.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 75.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 12.8 m -58.79 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 71.42 111.137 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.4 ttp -49.15 -41.89 37.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 75.51 110.879 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 60.4 mt -75.33 -34.74 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 73.32 110.926 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -61.46 -62.69 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.05 110.941 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -59.97 -32.17 70.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.889 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -53.09 -48.78 67.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 72.32 110.912 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -75.47 -40.92 56.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 72.12 110.907 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -53.37 -47.7 69.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.04 110.921 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -52.01 -35.74 47.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 62.42 110.936 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 19.6 mtm -76.28 -35.38 58.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 74.43 110.886 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -71.53 -35.97 70.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.854 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.0 pp -85.74 -35.16 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.939 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 97.6 t 57.95 93.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.159 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 171.95 125.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.701 -0.761 . . . . 71.44 112.46 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.03 138.28 55.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 72.42 110.903 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 178.76 35.55 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 64.44 112.482 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.06 -179.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.779 0.323 . . . . 74.12 110.873 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.41 114.92 22.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.836 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 19.0 m -150.64 -179.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 75.42 111.176 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 1.1 pt -119.66 164.83 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 75.54 111.149 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 64.29 43.91 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.35 111.146 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.07 136.63 36.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.896 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 19.6 m -87.47 150.8 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.11 111.172 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.13 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.911 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.22 174.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.41 110.841 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -116.01 -67.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.91 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 1.5 t -63.76 -50.42 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.851 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 80.7 mt -68.74 -35.9 77.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 75.41 110.932 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.59 -35.78 42.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 72.51 111.134 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.13 -35.92 66.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.896 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.03 -48.39 80.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 75.01 110.927 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -66.22 -36.26 82.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 75.02 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -46.13 64.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 75.1 110.918 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -82.65 -45.6 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.865 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -52.06 -58.95 5.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.919 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -36.1 82.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 72.12 110.871 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.84 -36.45 48.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 74.21 111.087 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -45.6 70.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.868 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.0 102.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.867 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.77 117.73 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 74.41 111.139 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.13 104.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 73.2 110.906 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -99.16 159.44 14.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 72.44 110.838 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -116.35 177.44 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.932 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 135.01 102.81 0.73 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 71.53 112.504 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -152.63 117.44 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 75.14 110.859 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 tttm 52.45 -170.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 74.52 110.9 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 138.07 -175.06 21.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 70.12 112.471 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 124.22 10.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 74.05 112.315 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -105.24 94.08 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 71.54 110.883 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.4 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 74.01 110.886 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.891 179.849 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 93.8 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.898 0.38 . . . . 74.34 110.849 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.35 -169.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 73.04 110.905 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . 67.48 118.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 75.14 111.15 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . 67.88 137.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.098 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.35 50.1 3.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.888 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -106.08 148.95 27.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 71.32 110.868 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.16 110.0 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 73.11 111.083 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -47.33 62.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 71.1 110.865 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.59 -41.07 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.15 110.88 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.76 -35.63 65.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 75.24 110.883 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 36.7 t -71.31 -38.68 71.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 64.41 110.833 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -74.7 -33.99 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 74.54 110.867 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.21 -47.51 56.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.976 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.49 -27.93 58.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.883 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -74.49 -35.93 63.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.895 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.46 -42.82 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 73.14 111.109 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -71.93 -38.14 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.86 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.85 -44.69 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.4 111.078 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -55.05 -54.29 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 64.34 110.882 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 56.0 mt -55.77 -34.75 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.32 111.14 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -58.76 -49.23 78.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 71.35 110.886 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -74.85 -29.42 61.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.894 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 3.7 p -79.95 -1.08 37.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.832 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 36.7 mt -121.14 26.06 9.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 72.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 169.96 13.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 73.13 110.944 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.1 tp -84.62 -40.64 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 75.13 111.105 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -90.7 -32.74 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.864 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.2 36.56 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.9 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.5 tp -53.06 107.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 73.5 110.94 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -125.33 70.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 74.15 110.813 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 6.2 m -55.48 -29.94 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 73.32 111.139 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -52.06 -37.59 54.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.928 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -33.18 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.846 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 30.1 t -53.32 -55.37 25.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.905 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.29 -46.21 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 72.41 111.133 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.2 -34.68 64.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 74.11 110.947 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -73.77 -52.21 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.121 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 18.8 mt -52.03 -36.01 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 75.53 110.928 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.84 -49.18 78.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.868 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -58.9 -51.01 71.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 72.41 110.866 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.67 -46.74 63.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.88 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.28 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.42 111.118 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -76.52 -35.61 58.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.852 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.77 117.16 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 72.4 110.935 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -84.11 54.82 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.43 110.932 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.06 137.79 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 54.23 111.165 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -95.3 172.58 8.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.134 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 13.4 tpt -52.69 -37.87 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.913 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -52.25 -59.18 4.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 70.25 110.922 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -36.08 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.923 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.36 -51.19 67.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 74.33 111.135 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -52.89 -42.41 65.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.933 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -65.07 -35.64 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.54 110.911 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -95.31 35.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.834 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.27 -40.8 74.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 63.35 111.144 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.46 -38.02 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 65.31 110.872 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -64.75 -44.31 90.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.877 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.9 mt -63.25 -35.27 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 72.42 111.142 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 55.2 m -63.31 -47.94 80.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 73.22 111.168 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -56.06 -37.0 68.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 72.14 111.14 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.42 -35.01 69.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.88 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -28.86 54.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 75.05 110.883 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -75.88 -33.98 59.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.871 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.471 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 39.3 pt -74.37 -1.68 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 75.44 111.136 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -79.62 -34.19 40.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 64.01 110.854 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.59 -19.29 8.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.871 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.471 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.8 OUTLIER -41.34 114.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 75.04 110.868 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -177.53 133.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 74.21 110.883 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 2.8 m -56.98 142.5 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 53.33 111.129 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.91 166.15 23.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.866 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -35.3 78.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.893 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 23.4 t -56.1 -50.32 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.33 111.157 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 84.2 mt -60.79 -53.09 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.125 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 31.7 mtm -56.76 -32.5 65.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 74.03 110.868 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -74.47 -53.49 9.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 73.25 110.913 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -58.86 -40.02 83.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.923 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 91.4 p -55.05 -48.52 73.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 52.2 m -53.94 -50.61 66.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 73.02 111.184 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -48.93 -50.32 35.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 75.45 110.876 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 9.2 mp -69.35 -34.77 75.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 74.02 110.912 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -59.23 -62.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.895 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -62.28 -30.79 71.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 73.14 110.876 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -53.95 -51.09 64.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.891 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -75.63 -35.65 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 75.33 110.874 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.88 -44.29 63.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 75.43 110.862 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -60.23 -35.73 76.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 70.12 110.861 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 5.8 mtm -77.7 -34.67 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.836 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -73.18 -35.88 66.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 65.35 110.873 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.3 pp -85.3 -35.67 21.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.941 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 99.2 t 56.61 86.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.147 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 61.69 -95.35 0.1 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 40.42 112.495 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -149.86 179.38 8.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 75.51 110.862 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -111.26 -123.68 4.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 64.41 112.522 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.05 168.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.842 0.353 . . . . 72.32 110.868 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 1.5 m -137.63 60.92 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 75.02 110.826 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.86 66.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 75.31 111.092 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 15.9 mt 69.68 -72.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 70.31 111.107 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 17.2 p -49.94 148.57 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 73.3 111.139 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.82 141.88 46.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.926 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 14.9 m -102.46 177.26 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 73.03 111.099 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.29 -41.0 1.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.883 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -169.32 175.03 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 64.43 110.913 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -116.12 -68.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.884 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -55.1 19.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 75.54 110.83 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.3 -34.67 78.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 75.3 110.92 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.39 -35.03 37.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 72.32 111.131 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -54.95 -60.78 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 72.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -40.07 77.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 75.35 110.9 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -52.03 -32.82 35.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 73.33 110.89 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -51.33 -55.59 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.955 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -82.8 -45.6 14.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 75.51 110.877 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -51.18 -59.32 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 75.33 110.888 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.15 -35.94 82.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 75.21 110.889 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.63 -36.08 44.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 74.2 111.154 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.49 -36.51 22.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 74.14 110.903 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -170.04 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.14 110.914 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.1 t -172.72 72.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 60.34 111.109 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.28 164.8 28.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 75.02 110.888 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -88.83 -170.64 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 75.11 110.854 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -142.16 -73.93 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 72.43 110.946 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 58.05 -126.5 42.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 70.4 112.485 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.07 104.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 74.2 110.943 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.8 tttm 62.72 164.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 65.12 110.903 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 170.56 74.57 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 75.31 112.494 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 167.27 24.9 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.659 2.239 . . . . 72.22 112.328 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -75.32 179.01 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.903 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -110.71 43.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 74.34 110.925 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.12 110.952 179.844 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.855 0.359 . . . . 74.43 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.37 99.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 75.44 110.9 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . 179.78 34.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.23 111.077 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . 179.59 129.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 75.44 111.115 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 53.78 56.01 7.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 71.4 110.894 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -88.09 154.6 20.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 74.54 110.89 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.06 108.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 65.14 111.129 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -47.6 58.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 65.44 110.825 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.5 tpt -60.81 -40.89 94.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.41 110.854 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -73.43 -36.15 65.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.847 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 36.5 t -70.59 -39.5 73.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 73.54 110.843 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -74.28 -34.11 63.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 71.24 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.1 -47.85 55.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 64.05 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -57.32 -28.56 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 71.44 110.925 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -71.73 -38.35 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.842 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.13 -40.12 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.43 111.108 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -71.34 -38.52 71.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.904 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.02 -43.0 65.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.12 111.13 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -55.3 -54.15 47.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.914 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 56.1 mt -55.22 -35.29 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.45 111.131 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -59.78 -46.11 90.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.844 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -75.94 -29.61 58.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.886 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -81.19 -0.84 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 71.21 110.89 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 40.1 mt -121.45 26.49 8.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 70.21 110.904 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 171.66 10.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.841 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.43 -42.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.153 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -90.81 -32.32 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.852 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.11 36.18 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 75.13 110.879 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.6 107.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 74.24 110.904 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -126.84 70.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.837 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 6.3 m -56.11 -29.51 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 64.02 111.146 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -52.09 -38.05 56.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.84 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -32.81 60.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.876 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.1 t -53.09 -55.03 27.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.875 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.61 -44.95 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.42 111.113 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.79 -35.54 63.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 75.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -73.6 -50.82 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 73.15 111.067 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.29 -36.05 51.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 73.21 110.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.75 -49.17 78.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.825 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.03 -50.79 72.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 71.12 110.913 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.13 -49.8 62.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.928 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.84 -34.56 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.22 111.085 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -76.53 -35.5 58.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 63.33 110.832 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.47 117.1 6.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 75.1 110.925 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -84.5 54.7 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.894 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 5.9 p -66.97 138.12 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 70.22 111.122 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -95.21 172.76 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 75.32 111.148 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 13.5 tpt -53.14 -37.6 61.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.858 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -52.44 -59.05 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.893 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -36.48 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.91 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -54.97 -50.96 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 64.44 111.045 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -53.1 -41.19 64.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.923 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -65.68 -35.78 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 71.25 110.956 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -95.41 35.56 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.879 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -41.86 72.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 64.12 111.118 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.49 -36.14 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 75.43 110.837 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -65.43 -45.54 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.43 110.895 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 3.5 mt -62.44 -35.18 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 73.32 111.141 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 53.3 m -63.66 -47.52 80.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 75.14 111.175 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.4 m -56.58 -35.01 67.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 73.13 111.184 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 26.3 mt -59.99 -35.77 75.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.929 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -28.84 56.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 72.41 110.894 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -74.98 -35.33 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.876 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.504 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 33.6 pt -73.84 -1.6 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 55.54 111.123 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.08 -34.9 50.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.875 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.75 -16.93 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.862 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.504 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 1.2 t80 -43.54 116.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.896 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -179.26 139.36 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 74.41 110.965 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.9 m -59.17 146.86 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 73.41 111.118 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.1 165.85 20.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 72.24 110.823 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.34 -35.91 78.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 73.54 110.876 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.82 -50.69 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.33 111.098 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.02 -51.11 76.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 74.43 111.172 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 31.9 mtm -57.17 -33.77 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.898 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -53.52 9.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.877 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -56.93 -40.07 75.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 74.54 110.869 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.0 p -54.72 -52.21 63.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 75.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.9 m -52.51 -44.27 65.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 71.42 111.177 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -51.95 -52.5 49.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 75.51 110.892 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.71 -37.88 76.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 73.32 110.895 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -57.94 -56.07 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 75.05 110.946 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -65.43 -34.51 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.836 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -54.4 -53.81 49.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 72.32 110.903 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -69.85 -35.97 75.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.923 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -52.05 -44.13 64.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 74.04 110.87 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.03 -35.78 77.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 62.42 110.932 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 5.9 mtm -77.24 -33.97 55.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 74.43 110.879 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -74.13 -36.11 64.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.831 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.3 pp -85.01 -35.5 21.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.937 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 95.9 t 55.55 84.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 74.44 111.133 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 63.21 -94.61 0.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.719 -0.753 . . . . 71.44 112.518 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -150.4 -179.2 7.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.886 0.374 . . . . 72.42 110.873 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -112.51 -122.66 4.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 64.44 112.479 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.14 169.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 74.12 110.853 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 1.5 m -131.88 35.56 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 72.34 110.866 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 4.6 m -116.17 101.2 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.42 111.165 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 16.7 mt 65.66 155.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 75.54 111.149 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 16.9 p -51.21 121.84 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.35 111.154 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -179.13 104.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 72.33 110.923 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 7.3 m -152.71 148.56 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 74.11 111.1 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.25 -74.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.09 175.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 73.41 110.888 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -116.35 -68.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.898 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -55.12 14.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 75.14 110.85 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.56 -34.53 78.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 75.41 110.875 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.56 -35.14 39.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.51 111.101 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.14 -60.8 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 75.3 110.879 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -40.48 78.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.902 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -51.79 -32.68 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 75.02 110.887 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -51.22 -56.19 14.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 75.1 110.909 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -82.79 -45.36 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.901 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -51.03 -59.5 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 75.43 110.833 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.36 -35.81 82.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.866 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.56 -36.3 44.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.066 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.03 -36.6 23.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 73.42 110.867 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.73 -170.02 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.864 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 2.1 t -172.62 72.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 74.41 111.145 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.04 164.5 28.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.898 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -88.55 -170.94 3.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 72.44 110.882 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -141.92 -73.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.888 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 58.02 -126.49 42.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 71.53 112.459 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.22 104.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 75.14 110.872 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 62.66 164.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 74.52 110.886 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 170.3 74.51 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 70.12 112.479 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 167.33 24.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.264 . . . . 74.05 112.316 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -75.26 179.4 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 71.54 110.86 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -111.09 43.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.01 110.918 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.2 110.894 179.863 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.893 0.378 . . . . 74.34 110.861 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -117.9 -60.76 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 73.04 110.875 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . 55.48 -170.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 75.14 111.083 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . 61.53 170.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.085 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 36.5 t -158.61 120.02 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 73.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.2 169.68 12.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 71.32 110.872 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 14.2 p 49.89 42.91 24.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 73.11 111.098 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 1.4 t -55.12 -44.82 75.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 71.1 110.831 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.1 tpt -54.57 -43.67 72.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 71.15 110.89 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.51 -35.86 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.849 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.9 t -63.8 -40.75 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 64.41 110.892 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -33.29 62.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 74.54 110.867 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.87 -47.44 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.917 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -57.69 -27.94 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.869 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.95 -37.3 55.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.854 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 20.9 mt -65.12 -40.08 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.14 111.125 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -71.96 -40.47 68.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.891 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.52 72.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 73.4 111.096 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.07 -51.14 67.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 64.34 110.856 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 50.1 mt -57.71 -34.89 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.32 111.126 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -61.12 -45.28 95.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 71.35 110.919 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -75.64 -28.0 58.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.871 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.1 p -84.61 -1.23 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 73.51 110.872 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 28.0 mt -121.69 26.26 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 72.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 170.87 12.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.13 110.938 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.2 tp -84.69 -38.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 75.13 111.155 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -93.0 -30.71 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.853 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -111.86 36.26 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.86 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 20.4 tp -53.67 107.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 73.5 110.866 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -127.11 70.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 74.15 110.9 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 5.5 m -53.12 -28.17 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 73.32 111.161 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -51.75 -41.01 61.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 71.21 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -75.8 -32.26 59.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.905 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 20.5 t -52.97 -60.34 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.911 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.4 mt -53.44 -44.74 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 72.41 111.157 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.21 -35.38 62.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.886 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.03 -51.17 12.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.037 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 2.2 mt -51.94 -35.69 46.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 75.53 110.922 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.53 -49.22 76.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.849 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.0 -45.85 86.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.912 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -52.37 -47.63 66.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.32 110.904 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.89 -35.09 74.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.07 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -72.33 -35.95 68.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.863 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.78 108.26 3.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 72.4 110.891 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -77.72 59.83 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.924 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.62 137.42 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 54.23 111.119 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -91.91 173.01 8.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 73.21 111.113 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -38.44 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.877 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -54.37 -58.94 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 70.25 110.909 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.34 -35.63 78.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.956 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.43 89.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.119 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -51.69 -36.13 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 75.25 110.938 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -72.07 -35.02 69.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 75.54 110.925 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -95.29 35.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.841 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -35.56 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.35 111.11 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.3 -40.79 91.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 65.31 110.915 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 27.5 ttp -55.54 -43.6 75.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 74.31 110.91 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.0 mt -66.16 -39.19 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 72.42 111.111 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 20.8 m -54.03 -35.37 61.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 73.22 111.153 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.4 m -74.32 -40.62 62.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 72.14 111.15 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 72.6 mt -51.46 -39.02 56.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.927 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -76.14 -29.29 57.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.05 110.881 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -74.67 -34.87 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.907 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.416 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 38.2 pt -74.93 -1.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.44 111.104 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -32.16 27.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 64.01 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.33 -20.63 8.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.44 110.9 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.416 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -41.24 120.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.853 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.54 135.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.941 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.13 131.98 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 53.33 111.13 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 1.8 m -64.38 166.14 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.819 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -64.48 -33.3 75.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.896 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.97 -39.16 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 73.33 111.112 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.12 -51.63 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.31 111.126 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 23.0 ptp -66.09 -30.9 71.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 74.03 110.869 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.9 -50.52 48.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 73.25 110.872 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -65.4 -38.13 89.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.847 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.8 p -54.99 -48.79 72.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 72.43 110.858 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 38.6 m -55.12 -48.28 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.02 111.16 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 2.2 ttp -51.82 -47.06 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.85 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.22 -43.68 70.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.886 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -52.15 -48.86 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.933 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.23 -35.55 80.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 73.14 110.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -53.33 -53.86 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.886 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -75.63 -36.12 60.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 75.33 110.89 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -56.81 -40.51 76.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 75.43 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.53 -35.19 80.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 70.12 110.876 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 34.7 mtm -74.88 -35.28 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.872 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -70.41 -37.0 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 65.35 110.889 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.5 pp -84.7 -34.7 22.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.943 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 99.4 t 58.61 84.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 74.14 111.158 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -176.28 39.28 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 40.42 112.483 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.27 -40.9 62.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 75.51 110.926 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -133.78 33.09 2.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 64.41 112.491 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -164.56 35.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 72.32 110.879 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 31.4 p -70.17 -170.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.82 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.03 140.44 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 75.31 111.155 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 50.3 mt -50.1 -68.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 70.31 111.121 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -21.6 45.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.15 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 68.11 153.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 73.44 110.961 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 8.4 m -146.23 148.71 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 73.03 111.123 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.89 77.42 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 73.43 110.913 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.19 170.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 64.43 110.93 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -116.0 -68.13 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.878 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 75.6 m -62.15 -54.83 35.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.839 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 35.2 mt -63.8 -33.85 76.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 75.3 110.961 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.38 -33.55 20.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.32 111.101 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -54.96 -59.17 5.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 72.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -73.07 -42.77 62.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 75.35 110.893 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -35.4 45.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.865 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -51.83 -42.22 62.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.865 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.72 -49.47 9.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 75.51 110.843 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -51.63 -59.44 4.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.89 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.48 -36.01 73.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 75.21 110.923 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.61 43.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 74.2 111.058 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.9 -39.41 35.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 74.14 110.875 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -169.83 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.946 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.32 175.69 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 60.34 111.119 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.5 172.3 13.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 75.02 110.885 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.69 161.01 3.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.837 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -135.2 159.77 40.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 72.43 110.898 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -112.77 -129.97 5.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 70.4 112.446 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.93 131.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 74.2 110.951 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.58 -63.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 65.12 110.923 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 91.24 165.85 40.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 75.31 112.534 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 157.51 60.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 72.22 112.356 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -152.75 118.67 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 63.41 110.85 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.42 -172.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.34 110.921 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 2.2 tttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.91 179.847 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.893 0.378 . . . . 74.43 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -118.0 -60.63 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . 55.4 -169.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.23 111.073 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . 61.64 171.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 75.44 111.086 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 36.9 t -158.66 120.26 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 71.4 110.882 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.38 169.43 12.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.54 110.873 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 14.2 p 49.78 43.02 24.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 65.14 111.146 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 1.4 t -55.22 -45.69 75.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 65.44 110.82 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.1 tpt -53.09 -43.69 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.92 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.07 -36.7 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.83 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.9 t -62.53 -41.42 98.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 73.54 110.835 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.51 -33.68 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 71.24 110.885 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 14.3 mt -71.35 -47.74 54.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 64.05 110.922 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -58.12 -29.26 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.907 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.18 -37.51 61.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.839 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 14.2 mt -65.16 -39.29 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.43 111.095 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -71.64 -39.53 70.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.875 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.48 -42.25 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 75.12 111.137 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -55.21 -50.67 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 74.45 110.921 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 50.6 mt -57.55 -34.94 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 73.45 111.14 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -59.07 -51.34 70.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.875 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -70.63 -30.84 67.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 75.2 110.852 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.7 p -80.04 -2.4 44.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.889 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 27.8 mt -121.68 26.17 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 70.21 110.92 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -71.72 169.96 14.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.01 110.867 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 6.0 tp -84.11 -38.64 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.111 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -93.31 -30.82 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.842 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -112.01 36.31 3.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.865 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.6 tp -53.48 107.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -125.85 68.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.86 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 17.6 m -51.66 -29.85 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 64.02 111.131 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -52.05 -40.4 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.904 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -75.78 -32.48 59.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.891 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 22.4 t -52.98 -59.21 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.875 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.5 mt -53.6 -44.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 73.42 111.169 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.99 -36.45 60.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.93 -48.34 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.15 111.122 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 2.1 mt -52.2 -35.35 48.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.88 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.87 -49.05 69.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.868 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.22 -46.21 79.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 71.12 110.911 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.47 -52.15 55.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.31 110.914 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.25 66.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 71.22 111.121 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -72.53 -36.81 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 63.33 110.847 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.8 mt -70.06 108.27 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.9 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -77.63 60.03 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 73.33 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.1 p -69.23 137.14 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 70.22 111.129 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -90.46 173.31 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.32 111.146 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -38.63 74.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.31 110.88 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -53.64 -58.02 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.935 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -69.32 -36.27 76.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.23 110.882 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.1 88.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 64.44 111.079 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -52.49 -36.17 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 71.43 110.888 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -71.08 -35.55 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 71.25 110.894 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -95.26 35.57 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.843 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.37 -35.53 67.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 64.12 111.116 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.06 -40.85 86.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.917 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 20.2 ttp -55.37 -47.64 75.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.85 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 2.8 mp -60.59 -41.18 86.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 73.32 111.125 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 23.9 m -54.08 -35.66 62.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 75.14 111.103 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.7 m -73.22 -43.11 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 73.13 111.154 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 46.4 mt -51.7 -38.26 54.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.935 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -76.77 -28.96 55.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.882 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -74.95 -33.98 62.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.904 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.465 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 35.9 pt -75.29 -2.17 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 55.54 111.09 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -34.23 55.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 71.35 110.89 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.53 -15.03 9.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 73.43 110.878 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.465 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 10.9 t80 -45.11 108.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.51 110.867 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.99 136.05 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.857 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.7 p -58.32 135.22 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.13 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 1.7 m -65.56 175.42 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 72.24 110.872 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -78.79 -33.0 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.54 110.932 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.24 -37.47 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 75.33 111.12 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 90.5 mt -65.97 -49.84 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.164 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.0 ptp -63.51 -33.15 74.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.13 110.859 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -50.5 48.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.869 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -62.89 -39.74 95.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 74.54 110.94 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 54.0 p -54.78 -45.94 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 75.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 36.6 m -57.83 -46.26 84.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 71.42 111.127 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 2.2 ttp -54.41 -44.23 72.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.942 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 28.9 mt -73.14 -41.36 64.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 73.32 110.921 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -53.61 -49.37 67.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.917 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -65.46 -34.77 79.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.851 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -53.18 -53.3 52.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.888 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -74.41 -39.8 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 72.12 110.889 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -54.68 -41.92 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.883 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -64.04 -35.98 82.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 62.42 110.89 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 34.4 mtm -75.57 -35.12 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.887 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -70.86 -37.02 73.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.5 pp -84.37 -34.95 23.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 73.43 110.931 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 99.3 t 58.26 83.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 74.44 111.151 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -174.88 38.54 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 71.44 112.49 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.02 -35.91 48.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 72.42 110.875 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -136.95 33.77 2.28 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 64.44 112.468 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -167.81 47.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.894 0.378 . . . . 74.12 110.888 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 32.0 p -59.68 -174.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 72.34 110.831 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 20.5 t -116.15 135.23 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 75.42 111.165 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 49.24 -169.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 75.54 111.151 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.94 -34.18 27.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.35 111.151 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 177.21 -178.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 72.33 110.894 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 3.2 p -168.63 139.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.11 111.124 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -96.83 72.52 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.25 110.892 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 61.08 168.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.897 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -116.04 -67.34 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.897 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 75.8 m -62.93 -55.04 29.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 75.14 110.876 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.63 -33.68 76.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 75.41 110.935 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.26 -33.73 20.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.51 111.13 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.93 -59.31 4.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.3 110.866 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -72.69 -43.19 63.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 75.01 110.921 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -35.03 42.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 75.02 110.906 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -51.84 -42.86 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 75.1 110.927 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -49.02 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 73.34 110.868 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -51.64 -59.37 4.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 75.43 110.933 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.8 -35.85 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 72.12 110.905 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.46 -35.64 40.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 74.21 111.127 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.79 -39.26 36.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.907 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -169.7 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 73.23 110.894 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.21 174.81 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 74.41 111.137 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.91 171.85 14.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 73.2 110.906 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.31 160.81 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.841 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -134.92 159.44 41.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 75.14 110.937 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -112.36 -129.71 5.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 71.53 112.469 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.9 131.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 75.14 110.87 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.5 -63.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 74.52 110.892 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 91.1 166.0 40.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.77 -0.729 . . . . 70.12 112.459 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 157.48 60.2 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.237 . . . . 74.05 112.339 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -152.72 118.54 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 71.54 110.882 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.6 -172.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 74.01 110.907 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.2 tttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 74.2 110.92 179.85 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.917 0.389 . . . . 74.34 110.856 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.86 158.34 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 73.04 110.825 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -161.31 179.5 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.085 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -102.14 -169.98 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.12 111.138 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.11 -70.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 73.0 110.881 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -122.52 -171.56 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.32 110.913 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 6.4 t -53.21 143.67 17.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 73.11 111.105 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.6 m -71.57 -39.12 70.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 71.1 110.817 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -35.66 60.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 71.15 110.928 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -73.68 -45.54 51.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 75.24 110.891 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.23 -38.91 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.829 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -74.91 -33.96 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 74.54 110.876 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.25 -47.46 57.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.95 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -56.37 -28.7 59.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.901 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -76.91 -38.13 54.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.873 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 24.2 mt -64.15 -38.59 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.117 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -71.89 -39.22 69.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.841 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.87 -42.17 67.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 73.4 111.087 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -54.91 -38.27 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 64.34 110.921 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 38.2 mt -74.41 -33.87 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 73.32 111.117 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -61.8 -52.43 64.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 71.35 110.894 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -71.45 -29.63 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 73.11 110.928 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 15.7 m -74.75 -26.73 59.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.887 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 32.0 mt -94.43 26.55 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 72.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.13 170.1 7.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.883 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.7 tp -84.65 -40.96 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.13 111.123 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -91.7 -32.6 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.875 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -105.08 36.63 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.3 tp -55.83 106.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.5 110.95 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.29 71.64 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.15 110.84 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 17.4 m -51.87 -28.01 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.098 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -51.11 -40.46 58.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.909 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -76.42 -33.31 58.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.858 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 7.4 t -53.23 -59.39 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.09 -48.27 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.128 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -51.55 -35.6 41.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.857 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.96 -53.17 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.082 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.91 -45.05 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 75.53 110.929 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.92 -37.37 79.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.899 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -65.32 -47.45 76.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.847 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -54.0 35.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 75.32 110.896 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.08 -21.43 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 74.42 111.074 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -98.96 26.71 5.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.828 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 36.6 mt -109.96 -30.02 7.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 72.4 110.906 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 50.84 42.79 28.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.922 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.92 145.03 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 54.23 111.111 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -87.58 175.46 7.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.128 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 1.8 ttt -62.64 -38.85 91.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.861 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.67 -54.5 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 70.25 110.919 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.2 -35.4 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 71.44 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.49 88.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.115 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -51.83 -44.53 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 75.25 110.955 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -35.31 80.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.49 35.56 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.868 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.61 -36.27 73.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 63.35 111.146 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.47 -41.4 98.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.896 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 3.1 tmm? -57.1 -37.56 72.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.907 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.04 -38.32 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 72.42 111.163 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 91.9 m -58.09 -40.33 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 73.22 111.118 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.1 m -65.36 -36.16 83.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 72.14 111.136 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 48.9 mt -57.6 -37.27 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 75.13 110.881 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -75.49 -29.03 59.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.925 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -74.34 -35.89 63.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.957 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.447 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 33.8 pt -74.21 -1.53 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.44 111.128 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -33.12 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 64.01 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -20.25 7.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.869 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.447 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.8 120.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 75.04 110.916 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -175.53 141.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.885 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.1 136.49 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 53.33 111.138 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 7.7 t -67.66 179.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.856 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -79.75 -38.94 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 74.23 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.7 p -60.0 -39.53 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 73.33 111.112 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 92.7 mt -64.48 -54.15 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.177 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 16.7 ptp -62.26 -32.45 73.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.03 110.835 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.38 -36.04 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.896 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -76.57 -36.06 57.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 75.21 110.93 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.1 p -56.38 -47.74 78.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.85 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 97.2 m -53.93 -46.12 71.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 73.02 111.102 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.9 tpt -50.8 -48.92 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 75.45 110.869 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 25.2 mt -73.53 -35.61 65.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.911 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -60.88 -58.43 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.869 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.5 -34.67 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.92 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -53.87 -53.26 55.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.876 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -70.12 -41.93 73.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.925 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -51.98 -45.17 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -55.6 -35.44 65.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 70.12 110.875 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 28.3 mtm -75.42 -34.56 61.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.898 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -72.19 -36.24 69.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 65.35 110.872 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.4 pp -85.08 -35.05 22.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.967 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 92.0 t 57.19 82.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 74.14 111.152 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 68.5 -91.48 0.25 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 40.42 112.454 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -170.35 126.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 75.51 110.884 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -173.06 -163.03 26.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 64.41 112.508 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.23 175.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 72.32 110.873 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 83.7 p -88.26 -172.08 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.858 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 10.4 m -130.15 139.16 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 75.31 111.136 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.73 -31.03 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 70.31 111.109 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 179.16 85.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 73.3 111.117 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.59 -178.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.872 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 15.8 t 65.02 152.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.103 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.24 -38.0 12.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 73.43 110.911 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -54.09 152.13 6.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 64.43 110.895 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.04 -67.46 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.922 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -55.07 39.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 75.54 110.845 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 4.5 mt -62.72 -35.18 78.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.483 . . . . 75.3 110.931 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.6 -36.79 47.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 72.32 111.087 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.18 -60.67 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 72.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -67.48 -35.99 80.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.937 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -52.38 -36.05 53.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 73.33 110.858 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -52.23 -36.5 52.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.893 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -80.19 -51.96 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 75.51 110.886 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.35 -43.19 64.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 75.33 110.904 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -36.2 58.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 75.21 110.89 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.43 -35.99 53.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 74.2 111.123 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -60.4 -36.12 77.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.937 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.81 103.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.937 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.25 35.71 4.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 60.34 111.141 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? 62.73 103.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.02 110.882 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.7 -177.57 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.11 110.858 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.89 176.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 72.43 110.929 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -172.62 171.45 44.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 70.4 112.5 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -107.92 -175.61 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 74.2 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.67 163.0 18.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 65.12 110.908 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 172.05 -165.88 38.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 75.31 112.519 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 113.41 3.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.628 2.219 . . . . 72.22 112.371 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -118.84 133.07 56.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.888 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.2 159.49 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.92 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 2.2 tptt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 73.12 110.919 179.824 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.863 0.363 . . . . 74.43 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.88 158.39 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 75.44 110.912 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -161.26 179.69 8.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 74.23 111.121 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -102.73 -169.9 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.037 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.9 -71.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.4 110.823 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -122.09 -171.74 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.886 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 6.8 t -52.18 142.78 15.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 65.14 111.127 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 11.7 m -71.51 -38.81 71.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 65.44 110.845 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.13 -35.88 60.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.89 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -73.25 -44.96 58.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 75.42 110.877 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -39.47 89.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 73.54 110.836 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.85 -34.29 62.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 71.24 110.879 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 11.4 mt -71.19 -48.1 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 64.05 110.929 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -55.09 -28.61 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 71.44 110.913 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -76.43 -35.57 58.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 73.31 110.865 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 52.0 mt -63.5 -40.92 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 75.43 111.119 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -71.79 -42.51 67.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.845 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.21 80.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 75.12 111.091 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.54 -38.05 66.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.45 110.885 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 32.5 mt -75.22 -30.31 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 73.45 111.141 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -63.41 -52.8 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.901 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -72.44 -28.55 63.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 75.2 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.0 m -74.75 -26.98 60.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 42.1 mt -94.88 26.5 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 70.21 110.886 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.36 169.19 9.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 75.01 110.876 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.7 tp -84.67 -40.52 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 74.33 111.138 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.84 -33.21 15.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 71.24 110.856 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -106.05 36.57 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 75.13 110.893 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 15.8 tp -55.68 106.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.953 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.67 71.92 1.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 74.12 110.873 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 16.2 m -52.22 -27.95 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 64.02 111.08 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -51.16 -41.02 59.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.869 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -76.3 -32.82 58.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 72.11 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 6.1 t -53.21 -59.05 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.04 110.824 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.43 -45.35 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.42 111.136 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -53.44 -36.62 61.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 75.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.82 -51.5 11.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.15 111.104 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 3.1 mt -52.07 -42.63 63.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 73.21 110.94 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.61 -35.01 79.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 74.33 110.891 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.19 -50.33 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.886 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 6.3 tp -56.28 -48.11 77.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.31 110.949 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -54.54 -25.68 27.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 71.22 111.104 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -79.57 -29.95 41.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 63.33 110.884 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.38 101.78 13.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 75.1 110.905 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -73.42 68.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.892 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.93 136.53 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 70.22 111.111 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -83.64 173.32 11.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.32 111.131 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 1.9 ttt -59.8 -38.97 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.882 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -52.53 -54.32 34.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.901 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -74.21 -36.03 63.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.884 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.39 88.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 64.44 111.05 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -51.79 -42.66 62.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 71.43 110.915 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -35.51 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 71.25 110.922 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -95.19 35.61 1.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.862 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -35.43 66.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 64.12 111.167 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.79 -42.43 95.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 75.43 110.885 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -55.33 -38.25 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.867 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 4.1 mt -67.55 -42.79 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.32 111.139 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 92.1 m -55.52 -45.42 77.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.14 111.153 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.7 m -58.42 -41.8 85.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 73.13 111.164 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.95 -35.57 66.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.931 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -76.32 -28.77 57.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.837 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -75.37 -35.41 61.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.458 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 35.8 pt -73.6 -1.66 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 55.54 111.112 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -33.62 42.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 71.35 110.861 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.8 -20.04 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.458 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.2 OUTLIER -40.79 119.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.85 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -175.23 141.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.893 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.94 137.1 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 73.41 111.154 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 7.7 t -68.62 179.76 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.24 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -79.72 -38.76 32.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 73.54 110.94 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.14 -39.61 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.094 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 94.0 mt -64.49 -54.54 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.43 111.091 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.8 ptp -61.85 -31.95 72.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.905 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.59 -36.21 63.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.819 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -76.64 -37.9 55.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.852 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 90.6 p -55.16 -44.58 75.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 75.0 110.844 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.1 m -56.41 -47.44 79.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 71.42 111.104 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -49.11 -47.57 45.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 75.51 110.852 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 45.6 mt -75.55 -34.63 60.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 73.32 110.875 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.07 -63.95 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.913 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -63.04 -32.6 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.877 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -53.02 -47.97 67.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.898 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -75.59 -43.1 49.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.12 110.836 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -53.46 -46.76 70.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.904 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.84 -35.72 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 62.42 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 27.4 mtm -77.34 -35.05 55.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.903 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -71.22 -35.53 71.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.14 110.928 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.5 pp -86.05 -35.26 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 73.43 110.922 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 98.3 t 58.16 86.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.146 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 65.35 -92.05 0.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 71.44 112.506 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -169.42 123.25 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 72.42 110.881 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -168.2 -160.48 16.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 64.44 112.509 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.97 176.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 74.12 110.896 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 83.3 p -83.88 -179.92 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.853 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 3.3 p -121.6 124.01 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 75.42 111.173 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.75 93.81 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 75.54 111.166 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 1.3 m 68.76 72.2 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 73.35 111.101 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 51.51 -169.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.913 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 16.8 t 65.59 149.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.11 111.108 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 30.3 mt -94.86 -36.02 11.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.929 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -59.15 153.41 18.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.831 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.82 -67.74 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.918 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -53.67 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.85 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.31 -36.17 83.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.923 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.72 -37.2 49.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 72.51 111.094 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.39 -58.9 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 75.3 110.917 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.27 -36.29 79.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 75.01 110.886 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -52.54 -36.52 55.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 75.02 110.84 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -52.07 -36.12 49.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.92 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -80.41 -51.44 8.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.872 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.54 -43.61 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.886 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -36.44 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.927 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.06 -35.66 48.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.125 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -60.84 -36.48 79.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.07 103.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.91 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.49 35.62 4.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 74.41 111.175 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? 62.73 103.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.2 110.926 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.95 -177.32 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.44 110.913 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.94 177.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 75.14 110.931 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -172.71 171.63 44.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 71.53 112.481 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -108.14 -175.39 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 75.14 110.905 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.85 163.11 18.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 74.52 110.923 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 171.83 -165.99 38.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 70.12 112.485 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.71 2.273 . . . . 74.05 112.321 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -118.9 133.18 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 71.54 110.886 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.2 159.41 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 74.01 110.892 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.2 tptt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.2 110.907 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.871 0.367 . . . . 74.34 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -52.24 114.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 73.04 110.889 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -177.88 146.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 75.14 111.096 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -170.11 163.37 9.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 74.12 111.102 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 46.1 t -154.28 162.62 41.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 73.0 110.829 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.35 -178.43 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.899 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.31 -173.77 4.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 73.11 111.179 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.01 -58.91 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 71.1 110.877 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -38.15 63.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 71.15 110.883 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.45 -34.66 65.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 75.24 110.916 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 11.1 m -68.36 -38.74 81.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 64.41 110.835 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -33.65 62.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.871 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.19 -47.46 57.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.882 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -57.76 -29.38 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.897 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -76.69 -45.2 30.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.908 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 17.7 mt -57.53 -42.32 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.152 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -71.84 -39.48 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.846 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.87 -48.68 73.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 73.4 111.063 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.06 -38.79 68.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 64.34 110.918 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 41.3 mt -64.34 -36.52 77.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.142 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -51.99 65.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 71.35 110.894 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -71.62 -31.25 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.85 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 67.1 m -79.42 -1.33 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.858 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 29.5 mt -121.3 26.55 8.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 72.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -73.9 167.84 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 73.13 110.892 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.2 tp -83.4 -37.4 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 75.13 111.088 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -89.34 -30.87 18.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.879 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -116.46 37.13 3.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.87 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 13.5 tp -52.53 108.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.892 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -124.47 59.64 1.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.843 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 2.9 m -49.63 -32.77 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 73.32 111.186 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -53.31 -35.16 59.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.836 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.74 -35.82 60.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.873 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 4.3 t -53.29 -52.19 59.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.876 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.6 mt -53.4 -35.89 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 72.41 111.118 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.07 -34.51 76.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.11 110.913 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.64 -53.71 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 74.24 111.105 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.35 -35.01 50.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 75.53 110.882 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.47 -46.23 87.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.858 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.48 -45.39 93.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.896 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -52.29 -35.82 51.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.924 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -71.29 -35.85 71.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.42 111.099 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 2.5 t -70.25 -36.32 74.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.855 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 84.0 mt -67.23 115.28 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.4 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -79.92 64.67 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.9 p -74.73 140.09 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 54.23 111.117 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -97.27 173.74 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.153 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -35.67 72.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.91 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -53.85 -59.22 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 70.25 110.944 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -69.96 -36.78 75.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.908 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.83 -51.24 69.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.33 111.068 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.54 -35.97 43.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 75.25 110.899 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.18 -34.31 68.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 75.54 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -95.09 35.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.853 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -34.61 57.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 63.35 111.156 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -44.86 82.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 65.31 110.885 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 1.2 ttm -55.16 -56.13 23.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 74.31 110.859 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.0 mp -58.59 -36.17 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 72.42 111.167 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 34.5 m -56.91 -32.23 65.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 73.22 111.156 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -81.45 -37.19 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 72.14 111.113 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 50.1 mt -51.64 -40.0 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 75.13 110.93 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -28.02 56.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 75.05 110.874 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -75.04 -34.77 61.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 73.14 110.922 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.418 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 31.7 pt -74.48 -3.22 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.44 111.141 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -37.8 60.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 64.01 110.848 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 25.22 8.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.895 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.418 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 1.2 t80 -84.93 120.72 26.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.04 110.864 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.5 156.47 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.893 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 5.6 p -86.91 110.5 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 53.33 111.15 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 28.5 t -46.22 154.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 74.43 110.833 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -60.61 -34.39 74.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 74.23 110.926 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.06 -40.42 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.33 111.165 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 87.2 mt -74.65 -38.66 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 74.31 111.132 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 26.4 mtm -66.04 -38.2 87.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.89 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -75.63 -34.01 60.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.892 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -71.63 -35.54 70.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.848 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.9 p -62.48 -48.57 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 72.43 110.898 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 35.1 m -52.58 -42.52 64.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 73.02 111.133 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -45.68 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.846 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 62.8 mt -74.41 -42.69 58.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 74.02 110.912 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -53.77 -52.08 61.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.919 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -62.69 -39.67 94.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 73.14 110.92 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -53.93 -52.04 61.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.91 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -73.14 -34.02 65.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.864 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -62.54 -34.69 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.903 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -48.43 81.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 70.12 110.885 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 15.2 ptp -74.83 -33.42 62.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.905 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -68.15 -36.09 79.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.901 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 2.2 pp -88.6 -34.09 17.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.911 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.5 t 60.08 98.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 74.14 111.139 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -165.03 -96.09 0.11 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 40.42 112.489 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -110.05 117.96 35.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 75.51 110.902 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -71.56 94.69 0.58 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 64.41 112.456 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.6 154.13 3.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 72.32 110.866 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.94 97.79 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.02 110.859 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 20.0 m -75.79 157.19 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 75.31 111.135 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 4.6 mp -95.4 -36.3 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 70.31 111.121 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.9 t -166.53 74.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 73.3 111.155 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -129.59 154.55 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.898 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 6.3 m -135.97 109.01 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 73.03 111.151 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.58 -35.89 4.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.882 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.81 162.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 64.43 110.924 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 -35.93 4.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 73.11 110.92 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -55.04 11.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 75.54 110.855 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 9.9 mt -72.32 -35.27 68.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 75.3 110.959 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.58 -35.49 41.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.085 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -70.17 -50.65 38.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 72.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -63.18 -58.64 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 75.35 110.919 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -36.05 47.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.889 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.57 -35.94 61.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 74.13 110.969 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -74.04 -59.8 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 75.51 110.86 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.35 -36.42 53.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.869 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.08 -35.72 56.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 75.21 110.881 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.44 -35.37 39.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 74.2 111.095 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.35 -39.97 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 74.14 110.927 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 148.93 49.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.933 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.86 175.35 10.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 60.34 111.129 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.26 53.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.892 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 59.75 74.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.891 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.21 178.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.892 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 179.98 92.84 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.729 -0.748 . . . . 70.4 112.436 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.9 -170.09 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 74.2 110.855 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.74 110.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 65.12 110.875 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -130.38 174.68 19.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 75.31 112.491 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 98.85 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.686 2.257 . . . . 72.22 112.323 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 5.9 t30 63.21 161.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 63.41 110.921 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? -179.22 36.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.892 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 57.8 mttt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 73.12 110.936 179.88 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.903 0.382 . . . . 74.43 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -52.08 114.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 75.44 110.872 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -177.97 145.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.098 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -170.06 163.46 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 75.44 111.112 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 45.4 t -154.41 162.52 41.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 71.4 110.831 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.38 -178.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 74.54 110.912 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -172.79 4.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 65.14 111.138 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.63 -59.3 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 65.44 110.854 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -37.47 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 74.41 110.851 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -35.17 65.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 75.42 110.895 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 11.7 m -68.51 -38.54 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.54 110.871 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -74.2 -34.23 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 71.24 110.904 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.05 -47.79 60.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 64.05 110.913 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -58.79 -31.02 68.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.962 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -73.78 -43.7 58.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 14.0 mt -60.48 -41.64 88.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 75.43 111.13 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -70.85 -37.34 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.835 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.94 70.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.12 111.147 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.28 -41.09 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.865 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 27.9 mt -62.89 -36.65 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 73.45 111.199 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -59.93 -51.86 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.88 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -72.45 -31.41 65.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 75.2 110.848 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.4 m -76.76 -4.64 44.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 71.21 110.881 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 50.4 mt -119.89 26.01 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 70.21 110.931 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -73.9 167.9 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.01 110.87 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 6.6 tp -83.78 -38.45 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.109 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -88.62 -31.08 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.869 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -116.15 37.04 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.902 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 12.1 tp -52.53 107.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.917 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -126.56 63.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.84 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 4.1 m -50.44 -31.02 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.02 111.139 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -52.14 -35.31 48.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.929 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -35.41 60.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 72.11 110.873 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 7.4 t -53.45 -52.89 58.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.883 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 5.3 mt -53.54 -37.31 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 73.42 111.083 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -66.22 -35.5 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.3 -54.08 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 73.15 111.071 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 21.6 mt -52.6 -36.64 56.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.29 -46.14 90.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 74.33 110.929 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.6 -46.13 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.852 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.72 -37.49 59.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 72.31 110.89 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.24 -34.61 75.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 71.22 111.076 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 2.5 t -72.38 -37.25 68.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 63.33 110.869 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.1 115.94 6.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 75.1 110.937 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -81.04 64.14 5.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.931 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -75.17 139.13 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 70.22 111.092 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -95.77 173.86 7.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 75.32 111.112 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -35.89 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.891 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -53.49 -57.64 9.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.941 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.41 -36.33 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.926 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.88 -51.07 70.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 64.44 111.111 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -35.8 45.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 71.43 110.92 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.22 70.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.919 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -95.17 35.54 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 74.34 110.887 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.98 -35.53 59.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 64.12 111.11 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -43.52 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.874 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.5 ttm -55.46 -57.17 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.939 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.6 -36.3 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.138 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.5 m -57.42 -32.21 66.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 75.14 111.15 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -81.55 -38.41 26.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.13 111.158 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 41.3 mt -51.3 -39.62 57.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 75.11 110.908 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -27.96 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.897 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -75.67 -34.62 60.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 72.14 110.943 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.423 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 34.3 pt -74.65 -1.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 55.54 111.116 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -38.23 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.92 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.5 26.37 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.848 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.423 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -84.21 120.32 26.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.833 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.38 -166.83 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.894 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 11.1 p -118.96 -11.93 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 73.41 111.109 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.0 t 71.96 132.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 72.24 110.839 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -53.63 -35.93 61.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 73.54 110.909 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -53.65 -39.36 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 75.33 111.119 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 9.7 mt -75.06 -34.36 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.43 111.111 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.0 mtm -71.32 -39.26 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.903 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -72.17 -37.04 69.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.852 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -69.76 -35.82 75.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 74.54 110.899 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -61.74 -50.16 73.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 75.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 30.5 m -52.16 -45.1 64.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 71.42 111.134 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -45.95 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 75.51 110.883 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 64.0 mt -74.63 -45.62 43.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.902 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -51.01 -54.76 21.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.909 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -58.87 -35.13 72.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.882 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -57.36 -53.7 55.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.884 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.92 -35.97 72.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 72.12 110.862 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -60.17 -35.05 74.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 74.04 110.886 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -49.03 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 62.42 110.909 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 16.6 ptp -75.11 -33.53 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.864 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -68.07 -35.99 79.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 75.14 110.907 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 2.1 pp -88.72 -34.3 17.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.922 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 94.8 t 59.95 98.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 74.44 111.15 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -165.21 -96.79 0.11 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 71.44 112.474 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -109.33 117.82 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 72.42 110.868 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -71.19 93.64 0.52 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 64.44 112.522 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -170.69 154.29 4.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 74.12 110.878 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.03 98.02 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 72.34 110.889 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 19.9 m -75.78 157.31 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 75.42 111.129 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 4.7 mp -95.44 -36.62 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 75.54 111.09 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 1.9 t -166.49 75.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 73.35 111.127 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -129.68 154.38 47.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.938 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 6.3 m -135.79 109.01 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.11 111.121 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.73 -35.65 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.882 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.84 162.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.902 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 -32.96 5.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.868 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -54.38 9.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.871 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 9.8 mt -73.0 -35.28 66.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 75.41 110.904 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.55 -35.43 40.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 72.51 111.158 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -70.04 -50.83 37.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 75.3 110.903 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -63.36 -58.45 7.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 75.01 110.949 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -35.77 47.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 75.02 110.846 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.84 -36.14 62.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 75.1 110.88 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -73.67 -59.7 2.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 73.34 110.861 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.8 -36.25 58.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.844 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.12 -35.59 56.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.92 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.45 -35.39 39.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.086 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.37 -39.79 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.42 110.865 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.81 148.44 50.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.906 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.22 -179.64 6.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 74.41 111.163 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.27 36.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.927 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 54.62 35.82 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 72.44 110.898 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.18 -172.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 75.14 110.94 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 153.13 70.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.753 . . . . 71.53 112.506 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.76 -177.94 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 75.14 110.841 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.37 110.39 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.869 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -128.7 175.68 18.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 70.12 112.493 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 99.43 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 74.05 112.343 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 5.9 t30 63.11 161.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 71.54 110.909 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? -179.23 36.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.01 110.901 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 57.8 mttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.2 110.878 179.905 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.875 0.369 . . . . 74.34 110.905 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -155.17 166.16 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.04 110.891 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -112.59 36.39 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 75.14 111.115 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -176.6 166.97 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 74.12 111.118 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.75 175.63 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 73.0 110.831 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.86 -168.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 71.32 110.921 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 2.1 p -46.47 111.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 73.11 111.173 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 9.7 t -50.82 -35.44 32.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 71.1 110.859 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.12 -39.85 63.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 71.15 110.9 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.77 -37.15 65.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 75.24 110.829 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -40.14 96.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 64.41 110.837 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -76.27 -33.11 59.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.858 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.09 -35.37 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 73.52 110.927 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -33.55 74.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.902 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -79.68 -38.12 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 32.2 mt -59.95 -43.91 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.14 111.126 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -72.31 -45.39 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.845 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.53 92.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.4 111.102 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.95 -43.98 73.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 64.34 110.865 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 36.4 mt -64.48 -32.33 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 73.32 111.097 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -62.81 -52.15 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 71.35 110.864 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.92 -29.29 65.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.888 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.8 p -76.12 -26.73 56.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 73.51 110.878 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 35.9 mt -94.42 26.75 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 72.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 170.85 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 73.13 110.905 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.8 -40.19 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 75.13 111.112 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -90.55 -33.62 15.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.858 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -106.1 36.4 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.907 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.05 107.39 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 73.5 110.89 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -133.73 76.65 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.15 110.869 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 11.3 m -51.61 -29.21 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 73.32 111.097 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.81 -36.77 49.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 71.21 110.878 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -75.89 -35.25 59.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.883 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 27.9 t -58.49 -56.33 23.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.858 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 2.8 mp -53.29 -35.25 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 72.41 111.142 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.19 -36.3 82.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.873 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.26 -54.58 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.085 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 51.0 mt -55.07 -35.94 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 75.53 110.92 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.5 -36.23 83.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.835 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -50.51 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 72.41 110.853 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.75 -34.66 59.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.956 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -63.0 -27.93 69.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.42 111.103 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.97 26.22 3.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.846 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 14.1 mt -120.46 116.4 25.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 72.4 110.901 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -87.75 58.21 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.9 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.93 136.52 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 54.23 111.137 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -80.23 170.22 16.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 73.21 111.164 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -35.26 71.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.41 110.842 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -59.29 5.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 70.25 110.922 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.02 -38.87 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.917 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.22 70.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.33 111.136 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -40.68 63.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.939 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -61.18 -34.55 75.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.915 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -95.24 35.71 1.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.881 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.46 -35.21 51.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 63.35 111.142 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.27 -50.54 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 65.31 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 48.9 ttp -55.41 -37.94 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.897 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.11 -38.37 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 72.42 111.089 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 19.2 m -61.62 -44.13 97.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.22 111.178 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.2 m -62.02 -36.02 80.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 72.14 111.156 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.3 -36.32 73.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.934 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -76.0 -28.56 57.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 75.05 110.925 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -75.61 -35.72 60.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.898 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.468 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 35.7 pt -73.38 -1.49 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 75.44 111.116 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -34.18 45.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 64.01 110.849 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.12 -19.77 7.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.862 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.468 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -40.27 117.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 75.04 110.907 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -173.3 133.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.901 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.7 127.77 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 53.33 111.149 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 8.3 t -64.62 172.59 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.815 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -73.63 -31.67 63.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 74.23 110.912 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 28.9 t -53.22 -44.09 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 73.33 111.12 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 73.1 mt -74.11 -42.64 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.129 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 20.2 mtm -59.13 -43.07 91.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.905 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.2 -33.54 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -71.86 -38.26 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.866 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 70.8 p -60.14 -49.79 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 92.7 m -52.45 -34.63 49.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 73.02 111.139 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 29.2 ttp -58.83 -51.29 70.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 75.45 110.87 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.47 -35.66 63.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.02 110.957 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -59.3 -47.26 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.59 -39.46 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 73.14 110.877 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -54.94 -48.04 73.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.823 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -74.98 -36.16 62.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 75.33 110.857 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -55.88 -50.48 70.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.901 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.47 -35.61 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 70.12 110.863 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 8.5 mtm -75.53 -35.09 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -72.36 -36.96 68.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 65.35 110.841 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.16 -35.25 23.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.934 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 99.2 t 57.33 83.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 74.14 111.09 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 160.5 -135.55 4.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 40.42 112.433 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -119.96 122.11 40.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 75.51 110.905 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -113.07 -125.36 4.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 64.41 112.444 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 58.18 95.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 72.32 110.851 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 16.8 p -170.7 173.93 5.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 75.02 110.825 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.14 160.33 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 75.31 111.165 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 31.0 mt -85.39 110.09 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 70.31 111.131 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 3.3 m -161.38 39.58 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 73.3 111.11 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 52.36 70.44 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.918 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 22.6 t -138.48 149.5 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 73.03 111.12 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.25 161.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 73.43 110.921 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 63.21 161.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 64.43 110.907 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -115.25 -59.49 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.918 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -43.58 90.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.829 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.97 -35.68 64.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 75.3 110.951 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.42 -42.56 61.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 72.32 111.094 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -75.62 -35.84 60.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 72.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -61.78 -59.89 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.885 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -52.56 -35.86 54.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 73.33 110.848 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -51.77 -49.04 63.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.917 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -82.48 -43.74 16.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 75.51 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -51.88 -59.26 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.902 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -36.16 83.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 75.21 110.894 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.51 -38.07 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.11 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -71.47 -36.86 71.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.862 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -80.58 134.43 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.14 110.957 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 54.0 m -140.32 139.83 35.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 60.34 111.159 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.55 -170.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 75.02 110.934 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 34.8 t0 63.37 104.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.874 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -140.42 35.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.891 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -112.68 51.32 0.71 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 70.4 112.504 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.07 129.84 4.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 74.2 110.923 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.42 139.23 44.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 65.12 110.878 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -174.82 -169.26 36.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 75.31 112.526 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 150.03 67.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 2.277 . . . . 72.22 112.315 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -68.12 -41.88 81.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 63.41 110.857 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 164.28 3.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.912 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.89 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.894 0.378 . . . . 74.43 110.882 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -155.02 165.92 35.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 75.44 110.861 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -113.19 40.1 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 74.23 111.107 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -171.31 170.92 5.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 75.44 111.062 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.97 172.15 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.852 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -104.1 125.47 50.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 74.54 110.881 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 2.1 p 46.16 85.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 65.14 111.086 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 9.6 t -52.0 -36.65 50.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 65.44 110.871 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.27 -40.49 64.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 74.41 110.912 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.99 -32.22 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.863 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -39.62 90.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 73.54 110.888 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -77.73 -33.18 53.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 71.24 110.874 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 13.5 mt -74.46 -43.61 55.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 64.05 110.939 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -61.02 -35.45 76.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.951 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -78.15 -35.69 48.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 73.31 110.863 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 26.9 mt -64.41 -40.79 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 75.43 111.122 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -72.05 -40.42 68.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 74.23 110.828 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.91 89.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.12 111.111 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.24 -42.25 73.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 74.45 110.868 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.69 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 73.45 111.122 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -62.86 -51.91 65.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.905 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -70.56 -29.42 65.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 75.2 110.881 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 13.2 p -76.4 -27.1 56.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.21 110.883 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 34.9 mt -94.14 26.91 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 70.21 110.897 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.84 171.29 6.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.912 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.6 tp -84.91 -39.7 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 74.33 111.137 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -91.02 -33.44 15.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 71.24 110.854 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -106.05 36.49 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.896 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 15.9 tp -57.02 107.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.964 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -134.41 76.47 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.857 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 12.4 m -51.55 -28.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 64.02 111.096 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.58 -36.92 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.902 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -76.21 -34.77 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 72.11 110.888 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 22.5 t -58.07 -56.91 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 73.04 110.911 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 2.7 mp -53.18 -34.52 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 73.42 111.133 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.06 -37.66 88.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 75.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.97 -54.3 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.15 111.138 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 41.4 mt -53.36 -35.43 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 73.21 110.888 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -67.67 -35.4 78.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.877 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.45 -50.95 40.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 71.12 110.917 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.88 -34.36 62.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 72.31 110.964 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.25 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.109 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.34 26.37 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 63.33 110.805 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 32.3 mt -120.08 113.89 21.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.975 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -84.92 54.44 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 73.33 110.879 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.54 135.64 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 70.22 111.116 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -80.12 171.25 15.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 75.32 111.143 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -35.94 73.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.84 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -59.27 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 74.44 110.904 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.79 -40.17 88.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.937 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.14 -51.03 71.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 64.44 111.103 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.41 -38.87 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 71.43 110.888 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -62.7 -35.34 79.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 71.25 110.872 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -95.17 35.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.834 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.6 -34.24 49.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 64.12 111.151 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.34 -50.55 69.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.861 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 53.8 ttp -56.05 -39.42 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.899 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 61.6 mt -67.5 -38.78 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.163 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 19.3 m -62.16 -44.45 96.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 75.14 111.143 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 88.6 m -62.22 -36.3 81.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 73.13 111.156 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.97 -36.36 72.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.904 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -75.99 -28.7 57.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 72.41 110.877 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -75.44 -35.68 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 72.14 110.891 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.485 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 35.4 pt -73.48 -1.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 55.54 111.138 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -34.57 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.87 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.1 -19.38 7.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.833 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.485 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.43 117.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.844 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -173.13 133.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.864 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.83 127.34 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 73.41 111.148 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 8.3 t -64.3 172.24 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.829 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -73.29 -31.74 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 73.54 110.872 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 27.7 t -53.07 -44.25 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 75.33 111.135 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 74.7 mt -74.01 -42.43 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.103 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 19.5 mtm -59.44 -42.44 91.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.13 110.88 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -73.74 -33.41 64.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.929 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -72.07 -36.68 69.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 74.54 110.915 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 64.2 p -62.13 -49.08 77.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 75.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.9 m -52.41 -35.23 51.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 71.42 111.141 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 27.7 ttp -59.12 -51.21 71.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.917 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.3 -35.88 66.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 73.32 110.914 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -60.49 -46.92 88.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 75.05 110.911 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -40.4 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.926 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -54.34 -48.39 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.923 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -74.54 -36.3 63.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.898 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -55.75 -50.28 70.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.908 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -35.57 56.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 62.42 110.9 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 8.4 mtm -75.54 -35.06 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.877 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -72.32 -36.92 69.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 75.14 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.21 -35.25 23.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 73.43 110.898 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 98.6 t 57.21 83.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.44 111.122 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 160.58 -135.7 4.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 71.44 112.482 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -119.78 122.01 40.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.391 . . . . 72.42 110.88 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -112.98 -125.46 4.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 64.44 112.512 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 58.29 95.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 74.12 110.837 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 17.0 p -170.82 173.79 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.857 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.08 160.28 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 75.42 111.142 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 31.1 mt -85.31 110.01 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 75.54 111.146 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 3.2 m -161.46 39.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 73.35 111.14 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 52.72 70.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.33 110.918 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 22.4 t -138.33 149.55 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.11 111.145 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.27 161.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.872 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 63.07 161.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.875 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -115.3 -59.35 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 74.34 110.905 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -43.5 90.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.905 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 23.7 mt -74.05 -35.63 64.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 75.41 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.5 -42.51 61.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.51 111.085 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -75.61 -36.1 60.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 75.3 110.921 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -61.59 -60.92 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 75.01 110.879 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -52.0 -35.6 47.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.02 110.884 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -51.9 -48.88 63.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 75.1 110.938 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -82.64 -43.32 17.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.859 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -52.32 -59.24 4.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.856 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -36.11 83.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 72.12 110.85 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.6 -38.07 59.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.21 111.081 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -71.35 -36.98 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 73.42 110.902 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -80.77 134.32 35.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 73.23 110.918 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 7.2 t -140.05 139.99 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 74.41 111.114 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.66 -170.13 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 73.2 110.875 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 34.8 t0 63.4 104.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 72.44 110.853 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -140.44 35.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.875 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -112.58 51.49 0.7 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 71.53 112.476 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.28 129.83 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 75.14 110.87 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.35 139.07 44.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.52 110.935 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -174.73 -169.35 36.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 70.12 112.451 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 149.9 67.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 74.05 112.335 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -67.96 -41.78 81.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 71.54 110.884 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.94 164.35 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.925 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.2 110.915 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.871 0.367 . . . . 74.34 110.881 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.82 136.64 40.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 73.04 110.922 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -125.44 -170.35 2.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 75.14 111.1 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -151.81 147.5 26.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 74.12 111.087 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 14.7 p -167.77 142.61 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 73.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -179.33 -177.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 71.32 110.897 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.16 142.4 16.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 73.11 111.133 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 2.3 p -67.5 -58.1 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 71.1 110.886 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.64 -39.42 65.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 71.15 110.9 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -35.19 64.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.887 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 10.1 t -69.68 -37.65 76.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 64.41 110.854 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -75.38 -34.27 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.873 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.4 mp -68.12 -47.36 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.52 110.943 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.31 -29.01 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.892 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -35.51 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.89 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 94.4 mt -58.13 -42.29 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 73.14 111.123 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -72.14 -51.03 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.84 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.23 81.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 73.4 111.107 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -55.09 -54.42 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 64.34 110.882 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 34.0 mt -64.59 -33.26 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.098 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -52.33 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 71.35 110.907 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -74.82 -30.04 61.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 73.11 110.899 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.6 p -74.56 -7.5 53.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 73.51 110.864 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 42.0 mt -115.58 26.05 10.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 72.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 169.81 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.939 179.816 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.9 tp -84.26 -37.91 13.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.13 111.155 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.49 -31.73 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 72.25 110.855 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -109.81 36.53 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.874 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 19.3 tp -53.27 107.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 73.5 110.876 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.96 81.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.15 110.87 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.62 -26.82 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.152 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -51.91 -39.6 59.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.892 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -34.2 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.84 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 37.7 t -53.42 -59.07 5.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.901 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.52 -40.18 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 72.41 111.154 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.25 -39.72 76.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.928 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.83 -50.16 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.09 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 62.4 mt -52.18 -40.5 61.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.947 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -35.5 79.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.858 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -64.08 -50.02 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 72.41 110.858 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 7.0 tp -53.75 -48.87 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 75.32 110.913 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -54.62 -25.8 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.42 111.098 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.1 t -80.66 -33.04 35.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 74.33 110.835 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 62.7 mt -75.26 114.53 13.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 72.4 110.901 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -77.07 63.14 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.896 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.94 134.91 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 54.23 111.104 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -88.44 174.02 8.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 73.21 111.125 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -39.25 85.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.854 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -59.04 -46.79 87.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 70.25 110.937 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.19 -42.64 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.932 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.5 -49.35 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.076 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.93 -36.18 48.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.907 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -69.97 -35.67 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 75.54 110.895 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -95.4 35.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.838 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -40.1 59.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 63.35 111.135 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -55.79 -44.11 77.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 65.31 110.865 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 1.1 ttm -56.09 -46.11 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.899 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.32 -44.54 99.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.154 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 17.6 m -54.22 -36.31 63.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 73.22 111.167 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.1 m -69.19 -35.75 76.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 72.14 111.138 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.38 -35.7 78.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.13 110.914 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -76.3 -28.63 57.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.05 110.948 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -75.64 -34.84 60.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.903 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 37.1 pt -73.99 -1.78 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.44 111.161 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -33.56 40.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 64.01 110.882 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.24 -18.52 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.899 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.467 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.8 OUTLIER -40.89 121.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.918 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.44 137.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.88 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.19 131.67 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 53.33 111.123 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.6 t -66.9 171.16 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.868 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -72.72 -34.63 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.894 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.1 p -53.23 -40.83 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 73.33 111.137 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 93.7 mt -73.67 -48.77 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.096 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 12.7 mtm -57.3 -33.73 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 74.03 110.867 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -49.35 26.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.863 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -62.65 -38.06 88.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.892 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 78.1 p -55.16 -50.22 69.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.836 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 60.7 m -53.93 -45.59 71.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 73.02 111.14 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.8 tpt -51.68 -49.73 61.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.45 110.885 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 32.6 mt -71.65 -35.86 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.937 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -61.81 -60.68 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.932 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -56.86 -39.81 74.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 73.14 110.923 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -53.2 -46.05 68.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.918 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -75.26 -36.18 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 75.33 110.85 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -52.88 -57.9 8.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.883 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -51.93 -35.4 45.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 70.12 110.965 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.78 -34.82 64.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.873 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.1 -36.1 77.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.35 110.885 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.4 pp -86.0 -34.88 20.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.9 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 99.0 t 59.69 83.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.14 111.133 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 51.94 -108.61 0.66 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 40.42 112.448 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -166.63 -179.17 4.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 75.51 110.897 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -93.52 -167.54 38.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 64.41 112.483 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.77 90.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 72.32 110.869 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.75 -169.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 75.02 110.845 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 9.1 m -117.9 141.76 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 75.31 111.148 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 18.2 mt 67.51 149.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 70.31 111.088 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 14.5 t -151.15 144.3 24.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 73.3 111.125 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 178.17 118.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.885 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 6.0 t 64.66 48.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 73.03 111.106 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -91.32 -34.16 15.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.964 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.72 105.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 64.43 110.869 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -35.69 40.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 73.11 110.905 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 3.8 m -52.74 -54.75 29.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 75.54 110.87 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 54.0 mt -74.05 -36.52 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.92 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -59.27 -35.47 73.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.32 111.101 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.22 -60.41 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 72.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -70.42 -35.48 73.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 75.35 110.929 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -51.99 -63.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.872 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -56.09 -35.97 67.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.896 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -59.65 4.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.858 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -70.73 -40.36 72.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.88 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.95 -35.9 47.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 75.21 110.907 -179.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.93 -35.81 46.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 74.2 111.119 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.75 -37.24 9.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.901 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.44 162.72 28.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.899 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.0 123.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 60.34 111.139 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.09 -73.93 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.02 110.891 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -179.2 -170.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.839 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.13 142.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 72.43 110.92 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 144.66 154.42 6.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 70.4 112.51 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.56 -44.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 74.2 110.9 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.99 173.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 65.12 110.894 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -138.24 -77.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 75.31 112.49 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -173.96 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 72.22 112.349 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -104.68 47.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 63.41 110.877 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.9 -35.7 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.876 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 73.12 110.881 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.859 0.362 . . . . 74.43 110.881 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.91 136.54 40.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 75.44 110.872 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -125.46 -170.25 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 74.23 111.096 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -151.75 147.49 26.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.44 111.128 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 15.0 p -167.69 142.3 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.4 110.842 -179.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -179.2 -177.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 74.54 110.883 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.86 143.26 13.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 65.14 111.122 -179.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 2.3 p -68.65 -58.61 3.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 65.44 110.86 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -40.38 64.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 74.41 110.85 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -35.27 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 75.42 110.886 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 9.9 t -69.22 -38.41 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.832 -179.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -75.11 -34.26 61.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 71.24 110.928 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.6 mp -67.76 -47.8 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 64.05 110.871 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.96 -28.99 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 71.44 110.924 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -35.92 57.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.908 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 88.5 mt -58.07 -42.03 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 75.43 111.119 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -71.94 -51.19 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.824 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.29 -42.12 81.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 75.12 111.101 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -54.99 -54.26 45.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.866 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 34.7 mt -64.63 -34.22 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 73.45 111.142 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -54.22 -52.18 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.884 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -74.84 -30.24 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.885 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.7 p -74.13 -7.63 53.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 71.21 110.814 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 47.8 mt -115.75 26.18 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 70.21 110.872 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 170.06 9.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 75.01 110.888 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.7 tp -84.29 -38.43 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.117 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.36 -31.64 15.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.878 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -109.75 36.55 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.914 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 18.6 tp -53.38 107.4 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.923 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.1 81.85 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.903 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 10.7 m -62.06 -26.54 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 64.02 111.127 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -51.88 -39.58 59.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 75.41 110.891 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -34.36 59.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.82 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 47.2 t -53.24 -58.79 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 73.04 110.889 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.69 -40.45 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 73.42 111.079 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.92 -40.12 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 75.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.86 -49.77 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 73.15 111.129 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 62.0 mt -52.15 -40.67 61.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.937 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -34.94 77.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 74.33 110.819 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -64.16 -49.41 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 71.12 110.869 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 7.6 tp -53.98 -49.91 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.904 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -54.14 -25.98 25.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.129 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.1 t -79.73 -33.03 41.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 63.33 110.881 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 64.6 mt -76.02 115.06 15.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.956 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -77.16 63.32 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.906 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.93 134.9 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 70.22 111.13 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.5 t -88.51 173.77 8.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 75.32 111.116 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.11 88.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.841 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.16 -46.04 86.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 74.44 110.905 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.93 -41.47 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.23 110.92 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.13 -49.78 75.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 64.44 111.101 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -51.74 -36.15 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 71.43 110.911 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -69.51 -36.01 76.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 71.25 110.892 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -95.41 35.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.813 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -40.41 60.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 64.12 111.151 -179.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -55.52 -41.59 73.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.94 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -49.2 77.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.908 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 3.2 mt -58.85 -44.84 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.32 111.124 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 15.5 m -54.01 -36.29 62.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 75.14 111.171 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.2 m -69.53 -36.12 76.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 73.13 111.165 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.2 -35.12 77.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.934 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.22 -28.8 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.864 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -75.46 -35.76 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 72.14 110.882 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.464 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 36.9 pt -72.96 -1.82 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 55.54 111.123 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.86 -34.25 45.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.35 110.816 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.18 -20.04 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.818 -179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.2 120.38 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.886 -179.912 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.33 134.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.879 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.4 p -59.22 134.4 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.147 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.8 t -70.26 172.42 8.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.879 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -73.01 -34.65 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.54 110.898 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.09 -40.97 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 75.33 111.105 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 94.7 mt -73.65 -48.66 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.43 111.14 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.7 mtm -57.37 -33.44 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.892 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -51.16 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.862 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -61.08 -38.77 87.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 74.54 110.852 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 78.6 p -55.09 -50.1 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 61.7 m -52.76 -45.89 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 71.42 111.149 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -51.74 -55.01 22.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.885 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 36.0 mt -66.46 -35.94 81.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 73.32 110.879 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -61.15 -61.25 2.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.938 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -58.18 -38.8 77.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 72.53 110.86 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -53.18 -46.01 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.924 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -75.46 -35.85 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.911 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -52.81 -57.76 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 74.04 110.925 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -51.85 -35.43 44.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 62.42 110.913 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.73 -34.36 64.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.867 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.51 -36.39 76.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 75.14 110.868 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.4 pp -85.58 -35.07 21.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 73.43 110.922 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 99.0 t 59.47 83.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.099 179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 52.05 -109.13 0.78 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 71.44 112.497 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -163.06 -175.21 4.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 72.42 110.854 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -96.13 -167.25 34.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 64.44 112.529 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.19 83.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.819 0.342 . . . . 74.12 110.868 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.36 172.1 1.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 72.34 110.805 -179.76 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 9.3 m -104.5 68.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 75.42 111.134 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 47.4 mt -150.19 144.24 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.54 111.141 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 7.2 t -147.67 -173.79 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 73.35 111.166 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 67.38 121.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 72.33 110.905 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 11.3 t 60.61 54.91 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.15 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.12 -35.74 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.924 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.71 120.63 7.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.41 110.936 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.46 -37.59 11.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.889 179.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 3.7 m -52.47 -54.93 25.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.84 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 54.7 mt -70.21 -35.46 73.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.927 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -59.57 -35.46 74.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 72.51 111.11 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.24 -60.67 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 75.3 110.848 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -70.47 -35.61 73.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.88 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 5.9 ttp85 -52.1 -63.04 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.02 110.889 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -56.04 -36.22 67.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 75.1 110.928 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.19 -59.23 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.902 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -70.13 -41.05 74.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.906 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -35.96 47.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.872 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.48 -35.45 40.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 74.21 111.122 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.81 -36.8 9.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 73.42 110.868 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.48 163.08 28.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 73.23 110.881 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.26 123.92 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 74.41 111.137 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.63 -74.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.899 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -179.17 -170.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.87 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.65 144.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.903 -179.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 140.38 154.91 6.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.671 -0.776 . . . . 71.53 112.453 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.61 -74.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 75.14 110.886 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 156.94 30.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.907 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -113.98 -165.05 15.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 70.12 112.511 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 113.87 3.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 74.05 112.366 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -167.41 -39.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.901 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.3 -46.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 74.01 110.923 179.909 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 74.2 110.877 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.911 0.386 . . . . 74.34 110.867 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.47 98.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 73.04 110.881 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -178.28 -75.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 75.14 111.101 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . 58.37 96.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.12 111.122 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.43 115.33 13.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 73.0 110.902 -179.81 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.49 -68.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 71.32 110.9 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.25 170.44 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 73.11 111.202 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 1.4 m -63.21 -48.06 79.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 71.1 110.893 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.8 tpt -53.47 -43.65 68.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 71.15 110.858 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.45 -36.04 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.881 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 57.9 m -63.87 -41.14 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.843 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -33.33 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.879 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 13.0 mt -71.23 -46.99 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.52 110.916 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -58.11 -27.55 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.925 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -77.02 -36.5 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.878 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 23.3 mt -64.04 -36.96 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 73.14 111.109 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -71.99 -46.59 56.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.893 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.83 -39.42 83.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 73.4 111.099 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.98 -42.17 72.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 64.34 110.857 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 25.0 mt -74.4 -29.2 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 73.32 111.132 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -58.66 -52.2 66.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 71.35 110.911 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -73.35 -31.22 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.877 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -74.61 -6.24 47.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 73.51 110.86 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 38.9 mt -117.28 26.01 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 72.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 169.34 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.893 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.46 -38.61 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.13 111.147 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.16 -32.68 15.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.25 110.875 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -109.97 36.55 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.865 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.7 tp -53.18 107.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 73.5 110.914 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -129.05 77.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.902 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 15.3 m -59.22 -28.31 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 73.32 111.128 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -52.14 -39.19 59.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.873 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -33.95 60.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.85 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 32.7 t -53.37 -58.28 7.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.876 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.42 -47.36 58.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 72.41 111.122 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.35 -35.05 36.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.874 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.95 -51.22 11.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.24 111.078 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.88 -35.05 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 75.53 110.869 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -49.03 76.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.841 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.86 -46.47 87.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.888 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -52.3 -47.73 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.948 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.68 76.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.42 111.05 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -73.71 -36.13 65.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.849 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 58.7 mt -67.71 110.58 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 72.4 110.916 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -77.37 61.52 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.923 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.22 138.28 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 54.23 111.152 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -93.92 173.16 7.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 73.21 111.102 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 11.6 tpt -57.04 -38.55 73.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.851 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -51.85 -59.17 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 70.25 110.895 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.19 -36.17 82.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 71.44 110.885 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.39 -49.31 74.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 74.33 111.14 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.46 -35.83 41.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.892 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 -34.09 59.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.853 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -95.09 35.59 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 74.23 110.875 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.15 -35.18 71.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 63.35 111.127 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.04 -42.89 91.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.884 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 11.9 ttp -55.19 -49.05 72.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.914 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.3 mt -58.23 -42.36 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 72.42 111.09 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 17.5 m -54.05 -37.52 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 73.22 111.173 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 73.5 m -70.36 -42.08 72.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 72.14 111.16 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 32.0 mt -53.49 -38.98 64.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.932 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -76.23 -28.76 57.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 75.05 110.937 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -75.59 -34.51 60.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.874 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.438 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 40.8 pt -75.14 -2.22 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.44 111.098 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -34.5 54.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 64.01 110.929 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.75 -12.58 9.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.891 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.438 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 3.4 t80 -44.27 115.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.928 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -174.04 138.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.945 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.1 p -67.49 134.4 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 53.33 111.129 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 36.9 t -69.22 168.28 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.85 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -70.74 -36.11 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.903 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.5 p -53.42 -38.62 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 73.33 111.131 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 91.1 mt -75.0 -45.34 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.148 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 15.2 mtm -59.33 -51.32 70.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.882 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -62.91 -35.56 80.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.831 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -70.91 -38.62 72.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 75.21 110.862 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.2 p -61.04 -47.46 86.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 72.43 110.914 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 71.9 m -53.33 -41.42 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 73.02 111.099 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.7 ttp -55.21 -46.66 75.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.45 110.894 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 67.5 mt -74.32 -41.48 61.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.913 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -53.07 -54.47 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.945 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -63.08 -36.07 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 73.14 110.899 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -53.45 -53.52 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.898 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -71.39 -36.02 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 75.33 110.875 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -56.35 -45.12 80.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.912 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.17 -35.43 77.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 70.12 110.923 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 17.0 mtm -76.05 -35.18 59.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 74.21 110.913 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -73.01 -36.98 67.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 65.35 110.877 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.27 -34.98 23.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 74.43 110.911 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.5 t 56.58 94.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 74.14 111.149 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -167.58 -38.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.734 . . . . 40.42 112.505 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 62.96 40.8 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 75.51 110.867 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -176.8 -39.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 64.41 112.477 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 10.8 t70 62.83 101.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 72.32 110.891 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 4.5 t -134.13 169.88 16.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 75.02 110.858 -179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 2.0 m -49.75 102.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 75.31 111.126 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 50.2 mt -151.04 -74.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 70.31 111.11 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.3 p 63.16 156.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.3 111.149 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 65.22 69.91 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.931 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 8.7 p -168.47 37.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 73.03 111.151 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.76 92.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.941 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -171.36 -40.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 64.43 110.886 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 13.72 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.917 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 43.3 p -57.53 -55.12 38.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 75.54 110.88 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.04 -47.32 37.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 75.3 110.948 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -53.11 -35.59 59.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 72.32 111.099 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -39.12 78.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 72.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -52.0 -53.79 37.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 75.35 110.885 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -75.11 -35.65 61.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 73.33 110.858 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -51.7 -35.85 44.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.885 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -36.24 80.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.869 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -55.57 5.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 75.33 110.878 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -52.37 -36.29 53.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.891 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.89 -36.55 49.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.2 111.145 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -58.75 -42.56 89.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.873 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -58.08 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.915 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 91.2 m -52.2 142.0 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 60.34 111.15 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.58 45.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 75.02 110.896 179.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.76 154.81 2.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 75.11 110.825 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -89.88 166.04 13.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.893 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -142.76 -59.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 70.4 112.491 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.77 141.53 31.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 74.2 110.889 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -87.71 170.51 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 65.12 110.899 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 164.07 177.93 37.2 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.757 -0.735 . . . . 75.31 112.485 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 86.28 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 72.22 112.348 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -116.37 135.59 53.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 63.41 110.901 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.85 -41.19 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.886 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 73.12 110.903 179.903 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.901 0.381 . . . . 74.43 110.856 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.56 92.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.9 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -169.25 -66.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 74.23 111.096 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . 63.69 97.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 75.44 111.125 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.52 120.38 26.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 71.4 110.838 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.61 -65.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 74.54 110.909 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.19 170.58 4.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 65.14 111.129 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 1.4 m -65.25 -48.14 74.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 65.44 110.901 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.8 tpt -53.22 -43.61 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 74.41 110.877 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.99 -36.88 67.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.858 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 57.8 m -62.62 -41.37 98.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 73.54 110.842 -179.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -33.67 62.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 71.24 110.884 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.33 -47.64 55.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 64.05 110.9 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -58.37 -29.17 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.44 110.901 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -74.69 -37.7 62.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 73.31 110.843 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 13.7 mt -63.38 -35.95 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.43 111.116 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -71.54 -44.02 65.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.87 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.58 77.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 75.12 111.085 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.13 -42.93 73.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.89 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 29.6 mt -71.97 -34.49 50.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 73.45 111.13 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -56.71 -48.05 78.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.887 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.65 -31.54 59.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.88 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 5.8 p -75.82 -5.68 47.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.849 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.8 mt -118.1 26.39 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 70.21 110.911 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 170.97 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.917 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.2 tp -84.4 -40.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 74.33 111.134 179.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -91.29 -32.27 15.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.863 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -109.05 36.47 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.882 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 15.7 tp -53.39 107.4 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.919 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -131.76 81.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.857 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 8.9 m -61.69 -26.79 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 64.02 111.128 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -51.96 -39.54 59.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 75.41 110.842 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -33.79 60.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 72.11 110.899 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 23.7 t -53.12 -57.93 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.04 110.891 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.49 -46.17 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 73.42 111.113 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.67 -35.44 42.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.9 -50.27 13.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 73.15 111.132 179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 19.2 mt -52.09 -35.55 48.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.878 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -48.92 74.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.868 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.41 -46.63 86.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.866 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.47 -50.48 62.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.925 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -58.92 -34.02 71.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 71.22 111.075 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -74.37 -36.69 63.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 63.33 110.851 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.33 110.51 3.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 75.1 110.895 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.7 60.68 2.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.91 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -69.76 137.92 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 70.22 111.114 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -92.91 173.33 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.32 111.11 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 11.5 tpt -57.49 -38.43 74.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 75.31 110.93 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -51.78 -58.19 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.907 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.1 -36.24 81.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.906 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.61 75.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 64.44 111.124 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -52.0 -35.87 48.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 71.43 110.904 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -35.25 61.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 71.25 110.873 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -95.17 35.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.844 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -35.32 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.12 111.128 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -41.27 85.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.866 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 8.9 ttp -55.36 -52.06 64.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.844 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 2.9 mp -54.68 -44.18 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.142 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 19.8 m -54.03 -35.28 61.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 75.14 111.194 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.5 m -72.68 -40.42 66.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 73.13 111.2 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 19.4 mt -57.44 -37.32 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.923 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -75.65 -28.61 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 72.41 110.904 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.69 -36.25 60.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.871 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.472 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 38.5 pt -73.23 -0.84 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 55.54 111.168 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -35.12 45.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.903 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.53 -19.0 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.848 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -39.93 117.66 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.911 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.35 141.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 74.41 110.936 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.4 133.86 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 73.41 111.116 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 36.1 t -69.11 164.7 21.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 72.24 110.883 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -63.7 -35.49 80.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.947 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -53.63 -36.52 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 75.33 111.12 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 91.5 mt -74.47 -46.64 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 74.43 111.137 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 14.1 mtm -61.34 -52.26 65.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 75.13 110.903 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.33 -36.17 75.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.925 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -71.19 -39.37 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.874 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 41.1 p -60.42 -48.42 81.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 75.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 57.6 m -52.5 -42.36 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 71.42 111.174 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 3.7 ttp -54.73 -46.47 74.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 75.51 110.913 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 60.2 mt -74.03 -42.69 59.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 73.32 110.923 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -51.14 -57.52 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 75.05 110.92 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -58.86 -35.34 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.869 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -54.55 -53.53 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.95 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -70.52 -37.01 74.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 72.12 110.861 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -56.81 -45.88 81.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 74.04 110.927 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -35.94 76.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 62.42 110.901 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 17.7 mtm -76.63 -34.98 58.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.894 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.4 -36.05 65.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.94 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.3 pp -85.16 -35.4 21.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.943 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 98.7 t 56.27 93.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 74.44 111.14 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -167.35 -36.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 71.44 112.491 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 62.98 35.76 13.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 72.42 110.888 -179.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -173.17 -40.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 64.44 112.513 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 10.7 t70 52.35 88.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 74.12 110.871 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 4.1 t -148.6 118.16 7.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.87 -179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 3.1 t 62.66 160.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 75.42 111.142 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 17.2 mt 67.33 154.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.54 111.133 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.33 87.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.35 111.11 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 178.0 46.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.935 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 16.3 t -144.72 56.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.11 111.117 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.12 99.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.919 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -174.64 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.834 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.13 13.35 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.872 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 43.8 p -57.77 -55.02 40.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 75.14 110.813 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.57 -46.1 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.41 110.937 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.88 64.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 72.51 111.111 179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.47 -39.24 79.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 75.3 110.856 -179.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -51.92 -52.13 52.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 75.01 110.935 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -76.34 -36.0 58.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.02 110.831 -179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -51.99 -36.24 49.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.1 110.93 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -36.44 82.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.852 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -54.76 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 75.43 110.848 -179.891 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -53.43 -36.28 61.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 72.12 110.89 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.92 -36.17 48.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 74.21 111.17 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -58.9 -42.39 89.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.42 110.89 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -58.05 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.925 179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 90.2 m -52.54 141.66 19.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 74.41 111.154 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.15 45.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 73.2 110.874 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.65 154.73 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 72.44 110.83 179.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -89.75 166.15 13.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.897 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -142.63 -59.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 71.53 112.473 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.85 141.52 31.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 75.14 110.877 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -87.53 170.43 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.91 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 164.04 177.98 37.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 70.12 112.495 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 86.01 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 74.05 112.336 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -116.13 135.29 54.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 71.54 110.907 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.67 -41.08 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 74.01 110.847 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 74.2 110.899 179.903 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.819 0.342 . . . . 74.34 110.846 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -172.59 162.22 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 73.04 110.84 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -175.28 172.14 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 75.14 111.093 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -117.46 -67.25 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.106 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 54.1 75.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.0 110.85 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -139.13 173.81 11.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 71.32 110.921 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.04 170.12 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.11 111.119 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -57.76 4.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 71.1 110.867 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.27 -38.58 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 71.15 110.922 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.56 -34.25 62.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 75.24 110.847 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 28.6 t -70.6 -37.46 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.879 -179.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -75.0 -34.15 61.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 74.54 110.93 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.87 -47.54 62.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.895 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -57.6 -30.77 65.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.904 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -77.1 -37.21 54.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.873 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 20.3 mt -64.96 -41.87 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 73.14 111.129 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -72.32 -41.6 66.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.855 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.72 77.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 73.4 111.106 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.86 -45.63 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 64.34 110.888 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 33.7 mt -66.0 -32.54 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 73.32 111.111 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -54.54 -52.34 62.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 71.35 110.916 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -75.42 -26.9 58.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.857 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.4 p -77.52 -4.62 46.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.51 110.88 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 50.8 mt -120.11 25.75 9.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 72.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 169.91 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.13 110.925 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.0 tp -84.43 -38.49 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.13 111.131 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -92.43 -32.2 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.919 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -110.88 36.6 3.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.817 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 18.8 tp -53.15 107.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.845 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -127.77 76.96 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 74.15 110.896 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 15.0 m -58.83 -28.25 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.079 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -41.48 62.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.9 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -75.73 -35.3 60.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.871 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 49.3 t -53.72 -45.94 70.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 75.13 110.88 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.52 -48.19 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 72.41 111.132 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -51.7 -34.16 37.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.873 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.74 -53.84 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.094 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 20.6 mt -51.99 -35.78 47.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 75.53 110.9 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -44.09 91.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.836 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -46.59 89.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 72.41 110.901 -179.893 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.23 -53.84 38.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 75.32 110.903 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.39 -35.24 67.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.42 111.088 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 2.3 t -66.27 -34.75 78.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.838 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 84.3 mt -73.79 139.65 45.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.953 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -101.77 56.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.913 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.81 140.6 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 54.23 111.148 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.1 t -98.39 170.13 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.17 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -34.9 56.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.895 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -52.74 -59.25 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 70.25 110.943 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -36.38 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 71.44 110.903 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.99 84.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.104 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -51.42 -36.19 42.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.942 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -75.51 -34.15 60.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 75.54 110.906 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -95.18 35.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 74.23 110.902 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.8 p -57.95 -34.98 70.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 63.35 111.149 -179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.05 -42.61 90.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 65.31 110.892 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 36.5 ttp -55.32 -49.63 71.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.857 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.41 -41.89 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 72.42 111.106 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 2.3 m -54.13 -37.53 64.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 73.22 111.186 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 91.5 m -70.95 -40.82 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 72.14 111.097 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 36.7 mt -54.27 -38.03 65.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.925 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -76.48 -28.55 56.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.912 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -75.51 -34.64 60.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 73.14 110.89 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.452 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 38.2 pt -74.49 -2.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.163 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -34.13 58.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 64.01 110.878 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.43 -12.7 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.867 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.452 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 5.9 t80 -44.44 114.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.912 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -173.29 139.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.879 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.1 p -66.31 134.59 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 53.33 111.123 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.1 t -68.35 171.62 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.852 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -74.67 -32.94 62.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.925 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -58.62 -37.08 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 73.33 111.178 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 84.7 mt -75.16 -45.18 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.31 111.16 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 15.4 mtm -58.54 -49.88 75.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 74.03 110.919 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.05 -33.99 77.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 73.25 110.891 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -70.95 -35.83 72.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.886 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 52.4 p -63.63 -47.83 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.869 -179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 91.8 m -52.58 -41.71 63.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 73.02 111.122 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -52.21 -49.92 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.884 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 53.0 mt -74.35 -38.52 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 74.02 110.907 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -55.22 -45.46 75.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.975 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -36.24 70.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.936 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -55.48 -51.01 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.907 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -73.76 -35.39 65.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 75.33 110.896 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -62.83 -36.37 82.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.91 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.27 -46.58 88.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 70.12 110.892 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 14.7 ptp -78.03 -33.33 51.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.843 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -66.47 -36.21 82.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 65.35 110.834 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 1.7 pp -85.56 -33.42 21.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.894 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.8 t 60.18 96.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.176 179.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -61.83 127.01 40.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 40.42 112.489 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.52 -41.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 75.51 110.923 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -104.28 -45.04 1.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 64.41 112.515 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -171.82 110.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 72.32 110.888 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 39.6 t -157.43 62.83 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.844 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 7.9 p -168.68 155.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 75.31 111.077 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 16.2 mt 68.29 156.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 70.31 111.123 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.57 -170.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 73.3 111.156 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.25 160.19 14.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.927 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 27.7 m -146.9 -176.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 73.03 111.112 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.3 -69.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 73.43 110.907 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -179.39 -173.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 64.43 110.893 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.12 -68.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.912 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.47 -55.04 7.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.873 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 2.0 mt -66.19 -33.83 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 75.3 110.963 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.96 -33.91 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.088 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -55.07 -58.99 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 72.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -48.0 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 75.35 110.909 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -35.48 42.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 73.33 110.887 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -36.0 43.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.931 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -73.03 -35.77 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.51 110.872 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -59.2 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 75.33 110.919 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.82 -36.11 46.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.864 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.53 42.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.2 111.061 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -76.31 -36.9 58.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.14 110.866 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -172.29 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.86 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 22.1 p -142.69 -172.84 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 60.34 111.167 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.63 -179.68 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.02 110.893 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -174.6 132.85 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 75.11 110.868 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -169.54 175.03 5.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 72.43 110.927 -179.888 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -141.15 -168.52 11.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 70.4 112.519 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.05 -172.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 74.2 110.945 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -173.93 142.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 65.12 110.904 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 135.47 -172.86 21.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 75.31 112.467 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -41.12 4.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.233 . . . . 72.22 112.316 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.76 108.74 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 63.41 110.912 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -93.05 -61.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.909 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 73.12 110.907 179.843 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.86 0.362 . . . . 74.43 110.888 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -172.63 162.22 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 75.44 110.92 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -175.15 172.17 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 74.23 111.052 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -117.94 -67.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 75.44 111.133 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 54.51 75.81 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 71.4 110.875 -179.786 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -139.09 174.24 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.915 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.31 170.16 6.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 65.14 111.105 -179.885 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -56.21 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 65.44 110.868 -179.865 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.43 -38.44 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 74.41 110.884 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.18 -34.67 63.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.42 110.865 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 28.9 t -69.82 -35.9 75.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 73.54 110.897 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -76.63 -32.38 57.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 71.24 110.882 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.76 -43.38 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 64.05 110.945 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -61.06 -40.45 93.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.959 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -70.88 -35.23 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.899 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 33.1 mt -65.4 -41.49 91.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 75.43 111.136 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -72.29 -38.39 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.852 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.83 -39.48 72.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 75.12 111.079 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.81 -43.35 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.897 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 30.5 mt -67.02 -35.5 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 73.45 111.106 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -55.96 -49.6 73.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.888 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -74.95 -29.52 60.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 75.2 110.901 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.1 p -77.78 -3.87 43.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 71.21 110.834 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 50.3 mt -120.61 26.28 9.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 70.21 110.94 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 171.24 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 75.01 110.88 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.6 tp -84.48 -39.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.116 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -91.97 -31.78 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 71.24 110.842 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -109.87 36.45 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 75.13 110.88 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 17.4 tp -53.1 107.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.939 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -129.85 80.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.12 110.838 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 8.8 m -61.18 -26.47 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 64.02 111.095 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -41.71 62.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.914 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -75.85 -35.01 60.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 72.11 110.876 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 41.9 t -53.71 -45.67 70.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.905 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.4 mt -65.41 -47.66 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.166 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.92 -35.45 45.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 75.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -74.0 -54.01 8.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 73.15 111.079 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.16 -35.98 50.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.945 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -42.24 95.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 74.33 110.877 179.836 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -47.82 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.886 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -52.4 -54.36 33.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 72.31 110.888 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.3 -34.93 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.103 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 2.3 t -68.32 -35.19 77.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 63.33 110.865 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.01 139.25 46.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 75.1 110.903 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -101.28 56.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.956 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.06 140.54 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 70.22 111.149 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -97.91 170.94 8.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 75.32 111.171 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -35.65 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.857 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -52.54 -59.15 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.94 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -36.03 75.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.927 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.27 87.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 64.44 111.085 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -51.73 -35.79 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.43 110.887 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -75.5 -34.99 60.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.25 110.892 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -95.14 35.68 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.837 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 2.8 p -58.64 -37.6 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 64.12 111.128 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.77 -42.49 75.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 75.43 110.901 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 39.7 ttp -55.35 -50.97 68.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.932 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 3.3 mt -57.55 -36.49 54.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.119 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 2.4 m -57.71 -36.33 71.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 75.14 111.126 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.1 m -74.03 -40.36 62.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 73.13 111.151 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 49.1 mt -51.98 -38.95 58.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.11 110.899 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -75.75 -28.93 58.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.85 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -74.68 -36.4 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.884 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.456 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 35.7 pt -73.38 -0.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 55.54 111.089 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -34.49 41.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 71.35 110.88 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.55 -19.27 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 73.43 110.847 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.456 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -39.83 117.83 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.51 110.888 -179.907 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -175.07 142.36 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 74.41 110.888 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 19.4 m -71.28 132.01 33.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 73.41 111.125 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 34.7 t -67.42 164.83 17.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 72.24 110.864 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -63.45 -35.11 79.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 73.54 110.917 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.8 p -54.32 -35.83 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 75.33 111.147 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 95.3 mt -74.68 -47.52 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 74.43 111.165 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.6 mtt -60.89 -50.6 72.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.91 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -61.72 -34.58 76.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.91 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -73.02 -35.08 66.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.884 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 36.5 p -63.57 -48.37 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 75.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.7 m -52.36 -41.32 62.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 71.42 111.153 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -52.55 -50.35 63.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 75.51 110.834 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.11 -37.86 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.936 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -56.43 -44.05 80.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.05 110.929 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -38.18 65.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 72.53 110.854 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -53.71 -51.09 64.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 72.32 110.9 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.9 -34.24 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 72.12 110.838 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -62.99 -34.82 78.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.907 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.07 -46.17 91.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 62.42 110.895 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 14.5 ptp -77.55 -33.24 54.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.854 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -66.41 -36.23 82.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 75.14 110.872 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 1.6 pp -85.72 -33.08 21.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.878 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 97.3 t 60.1 97.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.09 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -62.29 125.72 36.51 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 71.44 112.46 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.65 -46.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 72.42 110.872 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -103.35 -38.13 2.91 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 64.44 112.426 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -174.86 97.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 74.12 110.894 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 42.6 t -130.35 35.75 4.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 72.34 110.888 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 3.5 p -155.68 115.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 75.42 111.108 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -169.57 -178.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 75.54 111.123 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 73.35 111.121 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -114.21 160.8 18.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 72.33 110.926 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 27.4 m -150.72 -178.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 74.11 111.138 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.14 -74.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.913 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -177.58 -175.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 73.41 110.903 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.24 -68.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.903 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.79 -55.11 8.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.886 -179.88 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 2.0 mt -66.06 -33.95 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 75.41 110.924 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.73 -33.72 24.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 72.51 111.14 179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -55.18 -60.42 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.858 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -48.41 41.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 75.01 110.907 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -35.17 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.888 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -35.91 44.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.885 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -72.96 -36.73 67.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 73.34 110.901 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.97 -59.15 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.86 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.81 -36.06 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.884 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.53 42.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.21 111.125 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -76.35 -36.71 58.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.874 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -171.66 3.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.901 179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 22.4 p -143.29 -173.35 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.41 111.128 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -179.72 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.905 179.926 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -174.54 132.66 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 72.44 110.911 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -169.48 174.88 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.874 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -141.04 -168.57 11.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.697 -0.763 . . . . 71.53 112.503 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.91 -172.92 2.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 75.14 110.863 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -173.94 141.83 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 74.52 110.869 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 135.7 -172.84 22.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.735 . . . . 70.12 112.495 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -41.21 4.43 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.703 2.269 . . . . 74.05 112.309 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.61 108.73 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 71.54 110.9 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -93.09 -61.28 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.01 110.894 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 74.2 110.921 179.866 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.832 0.349 . . . . 74.34 110.876 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -179.07 158.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 73.04 110.911 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -169.53 174.59 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 75.14 111.117 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -136.11 -71.65 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 74.12 111.091 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.92 -174.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 73.0 110.865 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 60.0 -179.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 71.32 110.905 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.73 159.91 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.185 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 66.6 m -69.4 -59.47 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 71.1 110.808 -179.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.8 tpt -53.51 -37.74 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 71.15 110.904 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.61 -35.75 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 75.24 110.891 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 13.1 t -67.95 -37.48 81.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 64.41 110.894 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -75.94 -33.84 59.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.54 110.851 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.5 mp -71.21 -47.98 54.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.904 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -55.6 -29.8 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 72.33 110.897 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.0 -41.17 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.859 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 23.3 mt -58.54 -41.08 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.122 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -72.02 -46.57 56.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.853 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.01 97.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.4 111.083 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -55.05 -52.18 64.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 64.34 110.872 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 45.5 mt -55.7 -35.38 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 73.32 111.14 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -59.26 -47.27 86.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.877 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -75.52 -30.9 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 73.11 110.9 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 7.9 p -78.1 -3.07 40.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.863 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 51.9 mt -121.45 26.25 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 72.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 171.14 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 73.13 110.874 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.44 -40.81 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 75.13 111.122 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -92.43 -32.63 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.831 179.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -109.02 36.27 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.881 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 18.2 tp -53.52 107.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 73.5 110.933 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -125.37 69.21 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.933 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 6.7 m -52.23 -29.05 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.14 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -52.02 -41.41 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.881 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -33.78 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 74.44 110.878 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 35.4 t -53.3 -46.16 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 75.13 110.9 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -66.08 -48.2 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.41 111.143 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.8 -35.23 43.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.873 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.83 -54.1 7.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.24 111.064 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 84.2 mt -52.75 -38.98 61.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 75.53 110.893 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -36.05 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.902 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.26 -47.78 66.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 72.41 110.891 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.16 -35.72 67.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.953 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.49 74.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.42 111.114 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 7.1 t -71.64 -36.45 70.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.854 -179.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.02 145.7 54.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 72.4 110.864 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -97.59 62.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.896 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.95 136.89 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 54.23 111.096 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -106.68 170.72 7.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 73.21 111.176 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.76 -37.29 59.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.904 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -51.95 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.25 110.94 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -40.14 65.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 71.44 110.949 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.5 75.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.051 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -52.22 -36.7 52.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 75.25 110.924 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -80.04 -36.06 36.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 75.54 110.878 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -96.04 35.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.832 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 12.6 p -60.59 -34.16 73.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 63.35 111.089 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.17 -45.77 75.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 65.31 110.894 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 58.8 ttp -59.8 -38.96 83.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.877 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 42.6 mt -69.03 -34.78 65.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 72.42 111.108 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 45.8 m -61.97 -40.88 97.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 73.22 111.135 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 84.8 m -64.79 -37.93 89.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 72.14 111.171 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 15.5 mt -53.7 -35.23 60.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.917 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -76.58 -28.53 56.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.901 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -75.82 -35.32 60.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 73.14 110.889 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 36.3 pt -73.11 -2.18 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.118 179.885 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -34.16 49.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 64.01 110.914 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.43 -20.06 7.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.876 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.9 OUTLIER -42.12 117.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.863 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -179.56 136.29 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.926 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 1.4 m -51.63 157.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 53.33 111.102 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 40.5 t -97.86 155.69 16.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.885 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -51.77 -35.59 44.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.895 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.66 -39.76 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.33 111.134 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 78.8 mt -71.43 -50.34 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.31 111.131 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 18.3 mtm -60.22 -30.58 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 74.03 110.865 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.38 -53.4 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.896 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -56.95 -39.69 75.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.905 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 90.1 p -55.23 -53.39 56.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.858 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 86.7 m -52.78 -35.7 57.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.09 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -51.43 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 75.45 110.848 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 18.7 mt -72.15 -36.02 69.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 74.02 110.897 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -60.12 -44.71 94.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.925 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -72.77 -40.33 66.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.923 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -53.97 -45.66 71.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.906 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -70.7 -38.56 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 75.33 110.88 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -52.0 -55.38 20.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.898 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -51.93 -35.43 45.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 70.12 110.886 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 27.7 mtm -75.29 -34.45 61.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.21 110.923 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -70.1 -37.09 75.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.905 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 3.0 pp -85.49 -36.27 20.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 74.43 110.974 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 97.3 t 60.01 99.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 74.14 111.143 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 112.63 -156.22 15.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 40.42 112.45 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -49.55 104.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 75.51 110.869 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -141.85 89.65 0.18 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 64.41 112.468 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.8 146.69 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 72.32 110.872 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.3 m -56.36 144.24 31.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.02 110.809 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.23 115.84 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 75.31 111.155 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 14.8 mt 49.75 48.46 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 70.31 111.156 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.01 -174.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 73.3 111.159 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 57.55 70.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.924 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -169.71 159.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 73.03 111.139 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 7.3 mt -150.72 -64.43 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.914 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -150.14 -169.16 3.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 64.43 110.845 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.18 -68.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.11 110.866 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -54.98 17.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.837 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 11.1 mt -65.64 -34.33 77.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 75.3 110.892 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.09 -34.68 31.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 72.32 111.103 179.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.16 -53.71 52.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 72.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -76.83 -48.93 17.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 75.35 110.881 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -51.59 -35.75 42.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.876 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -51.96 -36.02 48.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.879 -179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -57.96 -46.47 85.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 75.51 110.84 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.66 -52.5 8.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.936 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.09 -36.12 49.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.906 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.72 -37.25 50.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.2 111.111 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -51.8 -48.27 63.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 74.14 110.86 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 15.2 tttt 57.64 95.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.91 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.8 t -88.63 175.58 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 60.34 111.148 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -83.63 -78.4 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 75.02 110.839 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.97 64.17 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 75.11 110.892 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -48.17 -67.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.952 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 101.15 -60.44 0.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 70.4 112.493 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 41.6 tttp 63.84 107.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 74.2 110.923 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.94 -42.12 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 65.12 110.895 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 60.1 -179.5 2.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 75.31 112.512 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -172.11 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.635 2.223 . . . . 72.22 112.336 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 62.67 103.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 63.41 110.885 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -114.57 -69.67 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.883 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 3.4 tttm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 73.12 110.89 179.891 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.885 0.374 . . . . 74.43 110.89 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -179.1 159.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.921 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -169.63 174.53 5.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.114 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -136.14 -71.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.44 111.113 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.07 -174.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.851 -179.827 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 59.93 -179.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 74.54 110.844 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.62 161.25 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 65.14 111.132 -179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 66.4 m -71.41 -59.66 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 65.44 110.849 -179.84 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.2 tpt -53.21 -37.92 62.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.913 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.02 -35.73 66.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.832 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.0 t -68.09 -38.31 82.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 73.54 110.839 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -75.86 -35.04 60.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 71.24 110.848 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.47 -48.15 51.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.05 110.904 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -56.52 -30.67 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.915 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.37 -41.28 61.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.881 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 14.8 mt -59.5 -41.28 84.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.43 111.129 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -68.93 -44.06 73.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.875 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.51 93.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 75.12 111.089 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -55.19 -50.31 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.898 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 47.0 mt -57.44 -35.22 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 73.45 111.083 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -59.13 -47.33 85.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 74.42 110.873 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -75.67 -30.8 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.876 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 7.1 p -78.38 -2.56 38.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.895 -179.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 47.9 mt -121.45 25.77 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 70.21 110.967 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 170.29 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 75.01 110.914 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 6.1 tp -84.63 -39.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.115 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -92.74 -32.14 14.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 71.24 110.875 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -110.9 36.67 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.878 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 18.3 tp -53.35 107.54 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.93 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -124.66 68.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.12 110.902 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 6.6 m -51.82 -29.51 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 64.02 111.139 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -51.81 -41.56 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.857 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -33.79 60.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.895 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.8 t -53.16 -46.78 69.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.04 110.889 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.57 -47.41 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 73.42 111.145 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.13 -35.63 48.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 75.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.66 -53.95 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.15 111.102 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 84.5 mt -52.24 -36.06 51.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.892 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -35.86 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.847 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.98 -50.22 62.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.888 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.8 -37.76 66.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 72.31 110.887 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.37 -37.96 80.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 71.22 111.113 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 7.1 t -71.4 -36.66 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 63.33 110.861 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.14 145.35 55.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 75.1 110.937 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -97.16 61.93 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.914 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.67 136.72 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 70.22 111.088 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.3 t -106.82 170.76 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 75.32 111.136 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -37.75 56.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.857 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -52.04 64.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.941 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -40.39 66.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.23 110.958 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.73 74.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 64.44 111.108 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -52.02 -36.47 50.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.928 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -79.91 -36.26 36.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 71.25 110.917 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -95.53 35.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.861 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 12.7 p -59.87 -34.43 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.12 111.1 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -47.17 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 75.43 110.911 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 58.9 ttp -58.25 -40.39 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.866 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 44.6 mt -67.49 -35.04 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.14 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 45.0 m -61.93 -41.11 97.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.119 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.5 m -64.44 -38.44 91.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 73.13 111.172 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 16.5 mt -53.19 -35.04 59.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.926 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -76.75 -28.88 55.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.41 110.871 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -76.02 -34.87 59.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.14 110.913 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.458 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 41.0 pt -73.54 -1.91 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 55.54 111.098 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -33.14 37.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.837 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.5 -20.39 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.883 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.458 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.6 OUTLIER -42.83 115.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.895 -179.902 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -177.4 132.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 74.41 110.881 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.4 m -53.58 144.77 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.133 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 39.9 t -84.29 158.68 21.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.859 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -54.54 -37.72 65.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.54 110.903 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 5.6 p -56.38 -40.7 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 75.33 111.173 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 78.3 mt -71.14 -49.45 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 74.43 111.172 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.3 mtm -60.76 -31.19 70.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 75.13 110.897 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.93 -52.62 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 74.42 110.901 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -58.18 -39.5 79.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.909 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 91.7 p -55.18 -53.05 60.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 75.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.3 m -52.68 -36.56 57.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 71.42 111.153 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -51.41 70.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.95 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 18.0 mt -71.78 -36.62 70.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.958 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.12 -44.71 94.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.877 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -72.57 -40.67 66.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 72.53 110.849 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -53.85 -45.88 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.945 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -70.27 -38.32 75.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.87 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -52.29 -54.78 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.859 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -52.31 -35.31 50.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.859 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 27.9 mtm -75.26 -34.45 61.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.876 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -70.06 -37.08 75.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 75.14 110.858 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 2.8 pp -85.55 -35.97 20.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.899 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 96.8 t 59.86 98.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.114 179.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 75.28 142.73 0.97 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 71.44 112.471 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 49.79 81.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 72.42 110.849 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -147.67 90.96 0.15 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.725 . . . . 64.44 112.498 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.93 131.99 7.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 74.12 110.864 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 3.3 m -62.27 130.54 45.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 72.34 110.849 -179.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 16.1 m -117.17 135.21 58.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 75.42 111.097 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 9.8 mt 50.89 46.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 75.54 111.132 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.21 -171.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.35 111.106 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 64.5 156.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.945 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 7.2 t 67.74 151.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.112 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 7.7 mt -135.15 -41.21 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.916 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -140.91 -171.23 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.897 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.2 -68.18 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.865 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -55.13 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.14 110.859 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.5 -34.22 77.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 75.41 110.92 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.91 -34.48 28.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 72.51 111.12 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.13 -54.1 47.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 75.3 110.9 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -76.7 -48.85 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 75.01 110.9 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -51.66 -35.37 42.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.02 110.896 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -51.89 -36.1 47.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.1 110.9 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -57.58 -47.2 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.874 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.63 -52.14 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.917 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -52.14 -37.34 54.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 72.12 110.922 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.7 -36.1 45.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 74.21 111.121 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -53.25 -45.86 68.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.886 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 15.0 tttt 51.76 79.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 73.23 110.888 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 14.5 t -93.87 148.3 22.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 74.41 111.177 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -166.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.2 110.886 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -175.7 -36.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.855 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 66.14 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.14 110.93 -179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 91.29 -58.62 3.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 71.53 112.451 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 41.4 tttp 62.64 103.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 75.14 110.908 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.41 -40.81 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.909 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 57.82 -178.76 1.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 70.12 112.517 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -172.6 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.664 2.243 . . . . 74.05 112.33 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 62.93 103.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 71.54 110.894 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -114.7 -69.47 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.01 110.907 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 3.3 tttm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 74.2 110.917 179.851 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.867 0.365 . . . . 74.34 110.817 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -50.05 104.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 73.04 110.863 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -119.9 143.47 47.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 75.14 111.114 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -170.39 142.44 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 74.12 111.133 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.81 139.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 73.0 110.908 -179.782 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -167.97 179.78 4.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.908 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.55 165.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 73.11 111.078 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 34.8 m -68.7 -51.07 45.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 71.1 110.821 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.2 tpt -63.32 -36.27 83.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 71.15 110.916 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -73.51 -37.1 65.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.894 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 19.2 m -63.22 -39.44 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 64.41 110.846 -179.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -76.14 -32.92 59.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.861 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.34 -32.95 61.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.886 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -32.86 70.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.934 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -78.75 -37.84 40.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.847 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 36.1 mt -61.03 -37.56 77.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.101 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.43 -49.93 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.873 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.52 91.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.4 111.105 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -54.89 -37.96 66.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 64.34 110.866 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 30.5 mt -74.12 -30.28 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.32 111.132 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -52.57 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.873 179.886 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -72.81 -27.13 61.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.884 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.5 p -77.2 -13.19 59.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 73.51 110.873 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 54.2 mt -113.75 25.94 10.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 72.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 169.5 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.924 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.1 tp -84.71 -41.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 75.13 111.118 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -91.18 -32.23 15.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.869 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -109.7 36.18 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.896 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.38 107.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 73.5 110.924 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -125.23 71.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.876 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 6.7 m -51.05 -30.38 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 73.32 111.186 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -52.06 -40.29 60.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 71.21 110.887 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -33.52 59.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.854 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 11.0 t -53.26 -55.08 27.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.883 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -59.11 -37.01 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 72.41 111.144 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.23 -36.76 78.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.904 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.83 -53.64 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.24 111.126 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 69.4 mt -52.15 -35.79 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 75.53 110.908 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.1 -48.86 78.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.919 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -57.55 -49.93 74.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.922 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -52.59 -36.87 56.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 75.32 110.924 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.38 -35.67 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.42 111.083 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.77 -35.63 62.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.873 -179.779 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.78 119.32 12.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 72.4 110.882 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -79.92 71.51 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.43 110.868 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.4 p -79.89 144.08 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 54.23 111.146 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.3 t -96.44 174.9 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.136 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -38.09 81.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.889 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -52.19 -59.35 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 70.25 110.882 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.44 -35.43 80.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 71.44 110.864 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.86 92.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 74.33 111.119 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -51.61 -36.08 44.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.886 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -74.05 -33.78 63.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 75.54 110.915 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -95.13 35.59 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.834 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -34.92 63.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.35 111.154 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.06 -44.88 91.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 65.31 110.885 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 49.2 ttp -55.15 -53.23 58.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.92 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.1 mt -56.94 -39.87 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 72.42 111.129 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 85.9 m -54.04 -39.51 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.22 111.158 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 89.1 m -68.55 -40.61 80.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 72.14 111.083 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 59.0 mt -51.83 -38.77 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.924 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -28.92 57.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 75.05 110.908 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -74.94 -35.92 62.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.892 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 36.3 pt -73.11 -1.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.44 111.132 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -78.52 -34.52 47.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.887 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.84 -20.17 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.816 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.6 OUTLIER -41.29 115.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 75.04 110.882 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -176.98 138.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.925 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 2.5 m -57.54 143.89 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 53.33 111.135 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 29.4 t -82.79 157.1 23.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.857 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -51.78 -40.27 60.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.974 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.2 -41.06 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.33 111.082 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 80.5 mt -68.86 -45.4 80.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 74.31 111.099 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.8 mtm -64.99 -33.84 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 74.03 110.851 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.22 -53.53 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.882 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -56.81 -40.82 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 75.21 110.864 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 59.3 p -55.64 -49.68 72.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 72.43 110.839 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 31.4 m -53.56 -46.52 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 73.02 111.137 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 24.3 ttp -52.55 -52.07 56.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.906 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 68.2 mt -66.58 -42.26 87.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 74.02 110.936 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -55.15 -53.82 51.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.95 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -61.76 -36.35 80.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.86 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -54.52 -53.88 48.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.894 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -75.62 -36.21 60.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.869 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -58.75 -43.56 90.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 75.43 110.906 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -61.91 -35.26 77.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 70.12 110.832 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 48.7 mtm -76.32 -35.32 58.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.897 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -72.77 -36.52 67.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 65.35 110.88 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.91 -35.09 22.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.901 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 92.6 t 56.78 91.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.14 111.138 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -134.59 150.12 20.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 40.42 112.514 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.23 111.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 75.51 110.85 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 144.83 -164.29 27.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 64.41 112.484 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.42 174.42 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 72.32 110.828 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 1.4 t -63.48 103.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.862 -179.755 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 22.3 m -143.51 179.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 75.31 111.12 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.57 135.89 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 70.31 111.084 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.44 178.98 9.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.3 111.14 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.51 137.83 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.85 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . 0.44 ' H ' ' NH1' ' A' ' 448' ' ' ARG . 18.4 t 64.74 110.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 73.03 111.135 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -178.39 -45.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 73.43 110.899 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.51 170.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 64.43 110.921 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.98 -67.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 73.11 110.885 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -52.73 58.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.874 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -35.46 80.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 75.3 110.955 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.52 -35.23 39.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 72.32 111.15 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.16 -60.71 3.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 72.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -35.45 75.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.35 110.892 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.44 ' NH1' ' H ' ' A' ' 439' ' ' VAL . 2.7 ttm180 -51.71 -35.99 45.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 73.33 110.915 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -46.95 64.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.939 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -82.48 -39.39 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.51 110.902 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.19 -56.12 23.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.885 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -36.25 49.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.905 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -57.8 -36.26 71.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 74.2 111.113 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.96 20.66 18.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.14 110.889 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.15 -73.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.893 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -168.68 -73.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 60.34 111.14 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -122.11 -177.14 3.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.893 179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.24 -172.0 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 75.11 110.845 179.853 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -54.23 119.04 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 72.43 110.907 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -52.41 146.79 15.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.675 -0.774 . . . . 70.4 112.512 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.89 178.21 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 74.2 110.846 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.48 124.76 21.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 65.12 110.896 179.832 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -176.47 74.23 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.736 . . . . 75.31 112.51 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -176.14 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.625 2.216 . . . . 72.22 112.353 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 28.5 m120 56.13 52.0 11.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 63.41 110.919 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -37.01 52.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.893 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 73.12 110.904 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.923 0.392 . . . . 74.43 110.878 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 49.94 86.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 75.44 110.888 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -124.35 141.92 51.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.05 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -168.16 143.01 3.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.074 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.08 138.35 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 71.4 110.881 -179.75 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -167.59 179.66 4.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 74.54 110.881 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.88 165.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 65.14 111.199 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 35.5 m -69.08 -51.07 42.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 65.44 110.863 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.0 tpt -62.21 -36.68 82.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 74.41 110.896 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.36 -35.29 65.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.86 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 20.4 m -64.85 -40.1 94.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.871 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -75.2 -35.48 61.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 71.24 110.877 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.49 -47.92 52.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 64.05 110.941 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -29.96 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.891 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -76.78 -43.07 38.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.855 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 16.6 mt -59.47 -34.77 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.43 111.129 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -71.83 -51.14 23.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.867 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.08 -41.26 99.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.12 111.12 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.59 -36.23 64.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.879 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 34.7 mt -74.37 -34.57 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 73.45 111.104 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -56.81 -51.39 69.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.887 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.12 -31.34 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.894 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.4 p -75.59 -10.92 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 71.21 110.888 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 48.6 mt -114.78 26.44 10.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 70.21 110.95 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 170.07 11.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 75.01 110.932 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.9 tp -84.54 -42.38 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.33 111.127 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -90.87 -32.22 16.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 71.24 110.894 179.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -109.41 36.23 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 75.13 110.877 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 14.8 tp -55.67 107.65 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.884 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -125.03 71.29 1.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.878 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 6.6 m -51.29 -30.39 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 64.02 111.074 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -52.03 -40.07 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 75.41 110.851 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -33.78 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 72.11 110.916 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 11.1 t -53.33 -55.66 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 73.04 110.842 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.38 -35.9 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 73.42 111.132 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.84 -36.84 82.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.833 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.61 -52.46 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 73.15 111.091 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 69.5 mt -52.29 -35.73 51.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.926 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -63.43 -48.33 78.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.934 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.99 -50.02 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 71.12 110.856 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -53.28 -39.47 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 72.31 110.903 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.97 76.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.117 179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -35.91 58.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 63.33 110.858 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 88.3 mt -68.63 120.09 14.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 75.1 110.888 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -80.96 70.21 7.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 73.33 110.961 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -79.39 143.15 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 70.22 111.157 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.4 t -95.29 174.59 6.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.32 111.109 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -38.31 84.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.883 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -51.89 -58.29 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.862 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.36 -35.85 82.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.23 110.898 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.03 88.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 64.44 111.109 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -51.86 -35.94 46.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.872 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -72.93 -34.93 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 71.25 110.899 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.14 35.58 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.859 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.8 -35.8 61.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 64.12 111.185 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.68 -43.53 85.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.912 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 42.1 ttp -55.65 -54.6 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.878 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 2.9 mt -54.09 -41.65 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.104 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 94.0 m -54.14 -38.59 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.14 111.144 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.8 m -69.07 -41.93 76.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 73.13 111.151 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 34.8 mt -53.02 -37.62 61.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.92 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -28.76 56.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.912 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -75.53 -35.46 60.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 72.14 110.907 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.475 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 36.6 pt -73.15 -1.61 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 55.54 111.131 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -78.46 -34.44 47.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.35 110.884 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.86 -20.09 7.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.846 -179.901 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.475 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.8 OUTLIER -40.98 115.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.51 110.862 -179.897 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -176.65 139.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.924 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.3 m -58.09 145.76 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.41 111.148 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.9 t -85.89 156.27 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 72.24 110.898 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -51.8 -36.06 46.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.903 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.59 -40.6 82.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 75.33 111.115 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 75.9 mt -70.94 -48.39 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.119 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 23.7 mtm -62.36 -31.59 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.886 179.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -73.38 -53.22 11.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.863 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -57.99 -40.0 79.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.929 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 81.3 p -55.21 -50.48 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 75.0 110.825 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 30.8 m -53.02 -47.03 68.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 71.42 111.124 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 24.7 ttp -51.87 -51.64 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.51 110.816 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.75 -44.05 82.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 73.32 110.911 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -52.79 -56.7 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.92 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -58.1 -35.48 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.893 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -55.16 -53.15 59.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.858 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -75.04 -38.57 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 72.12 110.908 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -57.6 -44.54 85.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.912 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -60.82 -35.96 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 62.42 110.898 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 48.5 mtm -76.88 -35.13 57.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.896 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -73.05 -36.23 66.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 75.14 110.885 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.3 pp -85.08 -35.32 21.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.952 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 95.4 t 56.72 91.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.105 179.818 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -134.64 150.22 20.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.784 -0.722 . . . . 71.44 112.485 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.19 111.09 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 72.42 110.872 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 144.75 -164.41 27.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 64.44 112.457 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.23 174.59 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 74.12 110.877 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 1.4 t -63.55 103.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.34 110.889 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 22.4 m -143.51 179.76 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 75.42 111.133 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.5 135.86 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 75.54 111.125 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.26 178.98 9.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.35 111.136 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.66 137.79 32.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.874 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . 0.438 ' H ' ' NH1' ' B' ' 448' ' ' ARG . 18.6 t 64.65 110.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.11 111.103 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -178.4 -45.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.896 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.39 170.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.898 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -68.04 0.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.934 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -52.9 58.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 75.14 110.846 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -35.51 80.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.932 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.46 -35.37 39.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 72.51 111.113 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.09 -60.53 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 75.3 110.9 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -35.49 75.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.852 -179.861 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . 0.438 ' NH1' ' H ' ' B' ' 439' ' ' VAL . 2.8 ttm180 -51.81 -36.01 46.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 75.02 110.874 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -46.96 64.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 75.1 110.913 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -82.65 -39.01 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.848 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -55.56 -56.03 25.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 75.43 110.878 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -36.06 49.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 72.12 110.922 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -57.93 -36.23 72.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 74.21 111.074 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.98 20.58 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 73.42 110.881 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.17 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 73.23 110.901 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -168.64 -73.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.104 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -122.12 -177.11 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 73.2 110.912 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.15 -171.96 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 72.44 110.854 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -54.34 118.79 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.14 110.925 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -52.29 146.61 14.98 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 71.53 112.507 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.76 178.34 1.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 75.14 110.9 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 124.6 21.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.885 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -176.36 74.21 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 70.12 112.445 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -176.14 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 74.05 112.359 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 28.5 m120 56.14 51.84 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.54 110.895 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -36.97 53.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.01 110.908 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.2 110.906 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.875 0.369 . . . . 74.34 110.894 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -159.77 -173.01 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 73.04 110.86 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -144.79 -175.06 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 75.14 111.124 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -143.39 126.58 16.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 74.12 111.09 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.46 140.64 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 73.0 110.831 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -147.71 -73.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 71.32 110.865 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.73 136.35 56.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 73.11 111.103 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -52.85 25.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 71.1 110.845 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -36.95 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 71.15 110.83 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.49 -38.27 65.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 75.24 110.842 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.3 m -60.78 -42.09 96.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.88 -179.747 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -74.88 -32.92 61.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.887 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 2.5 mp -73.32 -32.31 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.88 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -69.5 -35.4 75.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.922 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -77.91 -37.38 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.881 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 27.7 mt -57.48 -41.08 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 73.14 111.147 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -72.44 -49.89 30.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.865 179.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.15 85.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.4 111.064 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -54.72 -39.38 68.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 64.34 110.86 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 37.1 mt -69.42 -33.06 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 73.32 111.086 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -62.9 -52.31 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.35 110.876 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -68.35 -28.5 67.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.942 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 24.3 p -77.43 -29.17 52.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 73.51 110.871 -179.856 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 40.8 mt -94.57 26.78 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 72.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 170.21 9.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.13 110.894 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.3 tp -84.81 -40.33 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 75.13 111.142 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -89.82 -33.92 16.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 72.25 110.891 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -106.19 36.34 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.908 -179.892 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 15.6 tp -56.18 107.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 73.5 110.867 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -134.48 77.85 1.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.15 110.898 179.82 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 13.9 m -51.35 -29.32 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.32 111.132 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -51.87 -38.64 56.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.916 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.06 -35.2 59.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.859 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 5.5 t -53.74 -59.53 4.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 75.13 110.924 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.5 -44.3 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 72.41 111.127 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.75 -37.24 50.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.888 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.19 -54.2 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.24 111.078 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 88.4 mt -52.44 -37.15 56.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 75.53 110.895 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -44.58 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.84 179.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.67 -44.13 94.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.898 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.82 -35.26 76.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.941 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.93 76.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 74.42 111.107 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.0 t -67.9 -34.91 77.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.84 -179.757 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.25 150.12 49.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 72.4 110.921 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -109.75 54.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.966 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 4.6 p -66.83 140.89 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 54.23 111.112 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.3 t -102.98 171.3 7.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 73.21 111.142 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 4.1 ttt -55.03 -35.49 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.887 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -53.69 -56.77 14.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 70.25 110.908 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -74.06 -35.97 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 71.44 110.923 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.21 88.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.112 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.51 -42.65 61.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.887 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -66.3 -34.51 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 75.54 110.932 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -95.11 35.72 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.87 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.19 -35.14 48.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 63.35 111.158 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -46.52 88.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 65.31 110.908 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -55.2 -37.75 67.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.869 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 4.2 mt -70.12 -42.27 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 72.42 111.111 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 87.4 m -55.92 -46.6 78.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.22 111.119 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 25.9 m -57.67 -43.7 85.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.14 111.136 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 19.8 mt -52.13 -37.07 53.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.896 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -28.79 57.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.908 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -75.5 -35.1 60.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.903 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.487 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 36.1 pt -73.76 -1.36 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 75.44 111.12 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -34.74 41.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 64.01 110.911 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.06 -14.99 8.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.88 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.487 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -43.39 121.38 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.869 -179.927 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -177.52 142.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.876 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.0 p -70.55 135.8 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 53.33 111.157 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -72.8 173.7 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.846 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -73.15 -32.99 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 74.23 110.951 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.93 -42.56 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 73.33 111.13 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 22.6 mt -74.0 -49.95 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.11 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 31.2 mtm -55.25 -33.99 63.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.03 110.888 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.74 -52.85 13.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.88 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -59.44 -40.41 86.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.886 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.2 p -54.97 -47.39 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.826 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 58.3 m -57.22 -45.66 83.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 73.02 111.189 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 30.1 ttp -53.54 -44.7 69.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.907 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 50.3 mt -73.53 -43.37 60.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 74.02 110.904 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -55.07 -55.12 34.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.953 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -58.83 -35.85 73.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 73.14 110.879 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -55.22 -52.04 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.909 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -74.28 -36.74 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 75.33 110.901 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -56.14 -54.16 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.897 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -53.5 -34.52 58.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 70.12 110.873 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 33.8 mtm -78.27 -29.46 47.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.896 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -77.28 -35.85 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 65.35 110.846 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.95 -41.97 12.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.94 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 73.4 t 51.62 89.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.14 111.101 179.832 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -168.56 -165.48 26.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 40.42 112.45 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -146.12 -178.99 6.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.936 0.398 . . . . 75.51 110.883 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 90.6 -73.45 1.83 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.791 -0.718 . . . . 64.41 112.477 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 38.3 t0 61.88 63.29 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.332 . . . . 72.32 110.868 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 4.2 p -134.5 35.84 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 75.02 110.828 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 17.1 t 65.2 151.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 75.31 111.104 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -150.22 -179.46 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 70.31 111.113 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.96 34.06 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 73.3 111.13 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -179.82 133.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 73.44 110.915 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 5.4 t 63.08 158.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 73.03 111.105 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.69 162.12 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 73.43 110.95 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 61.39 74.24 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 64.43 110.926 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -115.98 -43.54 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.918 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 70.9 m -65.81 -51.41 59.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 75.54 110.889 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.38 -36.23 73.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 75.3 110.923 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.8 -36.19 46.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.147 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.96 -36.03 74.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -76.14 -59.73 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.896 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -51.92 -35.95 47.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.865 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.04 -47.94 64.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.904 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -82.46 -43.71 16.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 75.51 110.89 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -52.36 -59.17 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 75.33 110.892 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.67 -36.17 82.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 75.21 110.857 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -57.6 -41.05 80.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 74.2 111.098 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -72.01 -45.72 59.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.14 110.881 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -133.17 132.68 41.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.858 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 22.7 m -133.34 71.81 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 60.34 111.128 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -85.03 -172.47 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 75.02 110.885 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.63 172.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.893 179.856 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -58.45 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 72.43 110.92 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 109.02 -34.09 5.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 70.4 112.516 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -58.91 163.37 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 74.2 110.877 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -120.15 -39.11 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 65.12 110.909 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -113.51 74.79 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 75.31 112.453 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -178.9 2.57 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.635 2.223 . . . . 72.22 112.362 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.24 169.8 16.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 63.41 110.888 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -143.9 106.94 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.34 110.923 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 73.12 110.865 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.932 0.396 . . . . 74.43 110.826 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -159.73 -172.94 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 75.44 110.885 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -145.0 -174.91 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.23 111.081 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -143.58 126.85 16.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 75.44 111.09 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.51 141.11 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 71.4 110.872 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -147.9 -73.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 74.54 110.895 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.3 138.66 54.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 65.14 111.143 -179.899 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.26 -54.39 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 65.44 110.894 -179.868 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -37.51 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 74.41 110.896 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.03 -36.37 66.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.903 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -64.23 -40.91 97.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.54 110.83 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 6.5 ptm85 -75.9 -35.34 59.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 71.24 110.873 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 7.8 mt -70.4 -47.81 59.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 64.05 110.945 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -55.84 -31.1 62.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 71.44 110.902 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -76.84 -42.99 38.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.846 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 16.2 mt -55.89 -37.09 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.43 111.074 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -71.78 -51.07 24.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.872 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.48 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.12 111.117 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -55.08 -40.41 70.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.879 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 34.7 mt -68.45 -33.26 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.45 111.148 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -62.23 -52.16 64.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.913 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -68.89 -28.04 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 75.2 110.934 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 22.9 p -77.44 -29.34 52.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.836 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.2 mt -94.78 26.66 3.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 70.21 110.932 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 170.39 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.01 110.942 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.4 tp -84.83 -40.16 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 74.33 111.162 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -90.14 -33.8 16.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 71.24 110.869 179.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -106.24 36.53 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.897 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 15.4 tp -56.36 107.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.895 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -134.35 77.82 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.888 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 13.8 m -51.52 -29.21 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 64.02 111.117 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -51.91 -38.64 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.891 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.06 -35.42 59.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 72.11 110.881 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 5.5 t -53.65 -59.37 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 73.04 110.88 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.42 -44.45 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 73.42 111.137 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.67 -37.19 49.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.01 -54.0 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 73.15 111.13 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 89.8 mt -52.15 -35.54 48.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 73.21 110.922 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -42.46 99.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.883 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.61 -50.18 70.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 71.12 110.906 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.75 -35.26 68.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 72.31 110.952 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.21 -40.78 77.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 71.22 111.106 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.0 t -66.9 -35.24 79.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 63.33 110.808 -179.754 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 90.0 mt -67.06 148.56 51.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 75.1 110.944 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -107.66 55.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.881 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 4.9 p -66.89 140.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 70.22 111.126 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.2 t -102.22 171.83 7.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 75.32 111.118 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.1 ttt -56.84 -35.57 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.862 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -53.53 -56.53 16.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.934 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -74.0 -35.94 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.905 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.22 88.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 64.44 111.111 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.46 -41.86 61.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 71.43 110.862 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -66.75 -35.34 79.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 71.25 110.864 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -95.36 35.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 74.34 110.833 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.24 -35.17 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 64.12 111.118 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -45.64 93.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.869 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -55.63 -38.53 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.849 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 4.1 mt -70.03 -39.94 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 73.32 111.111 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 89.0 m -57.22 -45.09 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.14 111.123 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 31.9 m -60.6 -41.89 95.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 73.13 111.142 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 44.5 mt -51.52 -38.65 55.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 75.11 110.934 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.15 -28.89 57.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.91 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -74.54 -35.47 63.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.903 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.501 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 33.9 pt -74.08 -1.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 55.54 111.181 179.837 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -34.56 39.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 71.35 110.872 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -14.95 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.844 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.501 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -43.41 121.2 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.884 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -177.4 142.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.907 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.79 135.61 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 73.41 111.057 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -72.57 173.57 8.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 72.24 110.844 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -73.1 -33.02 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 73.54 110.911 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -53.0 -42.46 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 75.33 111.144 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 21.9 mt -74.04 -50.09 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 74.43 111.136 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 31.2 mtm -55.2 -33.72 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.911 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.93 -53.05 12.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.893 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -59.42 -39.84 84.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 74.54 110.893 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.7 p -54.95 -48.71 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 57.9 m -56.11 -45.22 79.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 71.42 111.175 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 30.5 ttp -53.67 -44.71 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.822 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 59.6 mt -73.98 -41.58 61.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 73.32 110.934 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -58.11 -51.68 68.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.967 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -62.79 -39.56 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 72.53 110.92 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -53.29 -51.26 62.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.896 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -75.38 -35.42 61.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 72.12 110.882 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -58.07 -51.42 69.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.876 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -53.19 -33.75 54.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 62.42 110.869 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.8 mtm -76.83 -34.68 57.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.876 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -72.23 -36.9 69.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.14 110.901 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.6 pp -85.96 -33.98 20.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 73.43 110.96 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . 0.402 HG13 ' O ' ' B' ' 429' ' ' VAL . 2.5 p 39.85 82.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.109 179.82 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -160.99 -161.48 11.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 71.44 112.486 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -148.98 -178.16 6.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 72.42 110.912 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 92.66 -75.23 1.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 64.44 112.532 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 37.8 t0 63.35 59.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 74.12 110.83 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 3.9 p -137.13 36.74 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 72.34 110.856 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 17.5 t 65.21 151.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 75.42 111.105 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -152.11 178.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 75.54 111.143 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.56 44.7 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 73.35 111.119 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.56 -172.15 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.928 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 33.7 t -49.75 106.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.126 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.5 150.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.874 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 51.75 74.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.893 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -96.22 -36.15 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.899 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 69.7 m -61.25 -52.53 64.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 75.14 110.854 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 82.3 mt -71.54 -36.22 70.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 75.41 110.912 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.96 44.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 72.51 111.132 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.17 -36.02 74.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 75.3 110.922 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -76.07 -59.77 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 75.01 110.917 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -51.94 -35.8 47.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.9 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -47.84 64.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.1 110.88 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -82.58 -43.97 16.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.907 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -52.07 -59.3 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.854 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -63.69 -36.13 82.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.12 110.872 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -57.47 -41.01 79.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 74.21 111.101 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -72.26 -45.52 59.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 73.42 110.89 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -133.13 132.59 41.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.9 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 22.3 m -133.3 71.79 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.15 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -85.03 -172.45 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.2 110.932 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.81 172.14 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 72.44 110.877 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.36 -58.8 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.915 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 109.38 -33.96 5.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 71.53 112.457 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -58.86 163.2 3.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 75.14 110.933 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -119.87 -39.18 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 74.52 110.901 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -113.62 74.9 0.23 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 70.12 112.493 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -178.64 2.44 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 74.05 112.311 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.33 169.85 16.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 71.54 110.883 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -143.96 106.64 4.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.01 110.905 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 74.2 110.95 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 CA--C 1.526 0.038 0 CA-C-O 120.894 0.378 . . . . 74.34 110.838 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -120.56 171.18 8.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 73.04 110.901 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -156.48 61.92 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 75.14 111.114 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -176.16 -173.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 74.12 111.085 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 25.3 p -55.78 103.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.28 -170.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.32 110.893 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 1.2 m -51.82 -35.47 44.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.11 111.109 -179.862 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.02 -36.36 49.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 71.1 110.853 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.8 tpt -53.62 -36.87 62.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 71.15 110.847 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.67 -36.32 65.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 75.24 110.859 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -36.71 81.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 64.41 110.825 -179.744 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -77.4 -33.3 55.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.866 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.71 -40.74 61.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.52 110.882 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -63.2 -35.38 80.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.33 110.93 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -77.28 -35.3 55.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.873 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 24.1 mt -61.39 -44.25 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.14 111.128 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -72.22 -45.23 61.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.83 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.76 99.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 73.4 111.094 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -54.99 -42.33 72.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.907 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 41.2 mt -66.98 -34.31 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.121 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -58.46 -51.88 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 71.35 110.891 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -71.73 -33.58 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 73.11 110.89 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.4 p -74.05 -7.55 52.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.51 110.881 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 36.4 mt -115.08 26.34 10.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 72.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 170.58 10.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.934 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.7 tp -84.33 -37.81 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 75.13 111.117 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -92.99 -31.86 14.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.882 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -108.85 36.36 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.899 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 19.9 tp -53.34 107.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 73.5 110.947 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.41 81.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.868 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 12.5 m -60.69 -27.2 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.16 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -51.85 -39.58 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.888 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -75.89 -35.28 59.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.882 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 38.2 t -54.98 -54.52 41.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.861 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -55.16 -51.34 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.41 111.156 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.56 -34.08 35.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.901 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.78 -53.92 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 74.24 111.108 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 11.9 mt -52.09 -42.87 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.919 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.64 -49.08 76.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.886 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -46.53 79.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.88 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.35 -54.43 31.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 75.32 110.953 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.2 -34.6 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.069 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 8.6 t -70.16 -36.36 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.33 110.847 -179.781 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 59.5 mt -72.27 149.19 44.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 72.4 110.921 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -104.74 71.15 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.43 110.925 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.05 127.61 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 54.23 111.135 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -90.18 173.76 7.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 73.21 111.149 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -47.01 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.857 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.31 -41.1 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 70.25 110.874 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.45 -35.58 65.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.936 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -67.53 -47.98 68.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.136 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -36.16 44.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.883 -179.908 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -83.43 -34.82 25.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 75.54 110.856 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -95.17 35.63 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 74.23 110.808 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.4 p -63.27 -34.99 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 63.35 111.177 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.02 -44.84 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 65.31 110.896 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 45.2 ttp -55.36 -39.36 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.837 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 4.2 mt -70.04 -43.17 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 72.42 111.113 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 5.9 m -54.2 -34.21 60.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 73.22 111.18 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 94.7 m -74.54 -34.34 62.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 72.14 111.129 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 30.2 mt -59.16 -35.85 74.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.928 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -76.11 -28.5 57.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.857 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -75.56 -35.6 60.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 73.14 110.876 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.446 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 35.2 pt -73.54 -1.72 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 75.44 111.11 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -33.73 43.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.862 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -20.03 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 75.44 110.907 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -39.95 119.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 75.04 110.886 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -174.33 135.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.903 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 10.2 p -61.58 128.86 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 53.33 111.16 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 25.2 t -64.8 171.65 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.825 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -34.11 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.905 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.1 p -53.31 -41.35 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.33 111.121 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 93.1 mt -73.62 -47.73 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.31 111.147 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 14.8 mtm -57.89 -33.95 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.03 110.898 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.67 -45.43 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.917 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -65.87 -35.45 80.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.869 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.5 p -58.06 -50.27 74.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.875 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 37.1 m -53.67 -44.94 70.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 73.02 111.163 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -50.55 -48.94 57.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 75.45 110.874 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 54.6 mt -74.38 -35.94 63.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.02 110.935 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -59.44 -57.02 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.948 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.17 -34.95 79.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.514 . . . . 73.14 110.889 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -57.44 -52.22 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.899 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -65.76 -35.94 82.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.915 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -53.96 35.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 75.43 110.889 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -56.05 -33.11 64.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 70.12 110.854 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 7.1 mtm -75.91 -26.9 57.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.861 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -79.93 -35.98 36.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 65.35 110.875 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 2.5 pp -86.44 -46.88 9.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.896 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 84.8 t 51.29 81.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.14 111.174 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 93.22 -32.44 5.69 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.741 -0.742 . . . . 40.42 112.486 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 63.99 -171.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.369 . . . . 75.51 110.913 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -52.22 111.57 1.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 64.41 112.542 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -109.45 53.8 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 72.32 110.895 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.83 122.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.02 110.871 -179.773 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 12.4 t 64.97 112.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 75.31 111.138 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 75.3 mt -50.67 118.06 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 70.31 111.127 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 24.9 p -123.26 -33.81 3.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 73.3 111.144 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.85 88.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.938 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 19.4 m -148.21 137.52 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 73.03 111.153 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.14 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 73.43 110.933 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -148.48 -171.49 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 64.43 110.893 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -116.09 -68.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.905 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 4.2 m -62.29 -52.93 61.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.841 -179.869 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 5.4 mt -64.1 -34.91 79.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.863 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.32 -35.54 38.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 72.32 111.068 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.33 -60.52 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.93 -35.86 77.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 75.35 110.875 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 5.2 tmt_? -57.06 -63.83 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 73.33 110.858 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -38.86 67.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.905 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -53.46 -59.75 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.85 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.69 -35.88 79.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.904 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -35.93 44.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.929 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -53.62 -47.78 69.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 74.2 111.083 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -74.92 -35.64 62.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.883 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 25.8 tttt 71.03 -69.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 73.14 110.921 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 96.0 m 65.39 -78.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 60.34 111.147 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 148.08 14.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 75.02 110.886 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -159.08 38.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 75.11 110.879 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.78 -177.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 72.43 110.919 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -128.99 -96.05 0.81 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 70.4 112.486 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.94 143.04 20.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 74.2 110.917 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -155.98 78.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 65.12 110.892 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -100.51 -166.12 28.52 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.792 -0.718 . . . . 75.31 112.519 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -171.39 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.279 . . . . 72.22 112.336 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -70.27 -74.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.905 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 157.65 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.883 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 6.0 mttm . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.887 179.884 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.885 0.374 . . . . 74.43 110.865 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -120.55 171.15 8.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 75.44 110.889 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -156.51 61.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.087 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -176.09 -173.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.078 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 24.9 p -55.68 104.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 71.4 110.864 -179.811 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.28 -171.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 74.54 110.885 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 1.2 m -52.08 -35.5 47.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 65.14 111.164 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.32 -36.4 53.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 65.44 110.876 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.5 tpt -53.07 -37.87 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 74.41 110.869 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 -35.09 67.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.911 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.92 -39.47 83.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.86 -179.761 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -34.81 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 71.24 110.917 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 24.9 mt -71.48 -47.68 53.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 64.05 110.909 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -57.89 -30.17 65.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 71.44 110.896 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -76.79 -41.5 44.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 73.31 110.875 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 16.1 mt -59.2 -41.47 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 75.43 111.147 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -71.95 -50.73 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.843 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.46 88.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.12 111.119 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -55.06 -42.37 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.87 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 37.2 mt -66.43 -34.59 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.45 111.136 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -58.41 -51.79 68.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.909 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -71.69 -33.75 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 75.2 110.893 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 6.6 p -73.91 -7.72 53.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.886 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 37.3 mt -115.09 26.4 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 70.21 110.888 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 170.47 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 75.01 110.901 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.8 tp -84.41 -37.7 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.33 111.115 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -92.86 -31.7 14.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.865 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -109.3 36.57 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.906 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 19.8 tp -53.42 107.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 74.24 110.943 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.38 81.16 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.898 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 12.2 m -60.65 -27.29 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 64.02 111.112 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -51.83 -39.56 59.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.881 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -75.92 -35.55 59.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.898 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.7 t -54.42 -54.62 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.905 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -55.26 -50.04 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.42 111.152 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.81 -35.36 43.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 75.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.45 -52.96 9.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 73.15 111.077 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 11.9 mt -52.17 -41.37 62.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.21 110.975 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.61 -47.82 83.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.33 110.882 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -47.27 79.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.893 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.4 -54.54 30.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.964 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.89 -34.28 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 71.22 111.077 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 8.6 t -71.41 -36.32 71.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 63.33 110.829 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.9 mt -72.94 148.65 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 75.1 110.905 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -104.13 71.1 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 73.33 110.921 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.96 127.24 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 70.22 111.103 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -89.88 173.69 8.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.32 111.117 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -46.5 81.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.865 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -56.2 -41.72 76.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.946 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.19 -35.98 66.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.904 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.09 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 64.44 111.122 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -35.9 48.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.868 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -82.87 -35.29 26.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 71.25 110.904 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -95.17 35.58 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.89 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.4 p -62.79 -35.24 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 64.12 111.104 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.77 -44.58 81.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 75.43 110.888 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 43.6 ttp -55.34 -40.63 71.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.918 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 4.0 mt -68.58 -42.7 83.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 73.32 111.121 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 6.0 m -54.13 -35.6 62.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 75.14 111.126 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 97.0 m -73.68 -35.68 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.13 111.14 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 26.6 mt -57.8 -35.85 71.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.927 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -76.3 -28.62 57.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.911 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -75.44 -35.49 60.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.896 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.469 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 36.2 pt -73.36 -1.77 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 55.54 111.159 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -33.98 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 71.35 110.87 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.12 -19.95 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.902 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.469 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.05 118.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.845 -179.937 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -174.17 135.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 74.41 110.876 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.6 129.1 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.122 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 25.2 t -65.19 171.28 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 72.24 110.876 -179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.93 -34.24 66.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 73.54 110.917 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 5.1 p -53.19 -41.35 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 75.33 111.105 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 93.1 mt -73.56 -48.28 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.134 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 14.1 mtm -57.19 -34.28 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 75.13 110.842 179.886 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.91 -46.76 42.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 74.42 110.889 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -64.61 -37.98 89.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 74.54 110.926 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.9 p -55.89 -48.63 75.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 75.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 92.4 m -54.75 -47.09 74.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 71.42 111.121 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -48.93 -47.15 43.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 75.51 110.866 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 53.5 mt -75.86 -34.82 60.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.32 110.904 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -56.36 -64.14 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.94 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -62.41 -33.27 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 72.53 110.895 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -55.05 -46.49 75.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 72.32 110.927 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -75.35 -35.63 61.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 72.12 110.848 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -53.19 39.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.91 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -55.66 -33.39 64.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 62.42 110.893 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 7.7 mtm -75.88 -26.78 57.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.862 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -79.47 -35.78 39.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.14 110.875 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 2.7 pp -86.74 -46.48 9.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 73.43 110.925 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 96.0 t 51.76 82.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.106 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 93.19 -33.3 5.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 71.44 112.521 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 63.83 -168.5 0.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.917 0.389 . . . . 72.42 110.888 -179.872 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -50.25 115.47 3.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 64.44 112.5 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -94.64 101.83 13.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 74.12 110.886 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.1 160.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.87 -179.746 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 13.2 t 65.87 115.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 75.42 111.122 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 27.2 mt 65.17 147.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.54 111.157 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 23.8 p -115.25 31.71 6.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 73.35 111.186 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -50.64 129.82 23.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 72.33 110.919 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 18.0 m -94.48 -173.07 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 74.11 111.132 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 1.3 mp 53.97 -174.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.93 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -103.2 -169.13 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.923 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -110.54 -62.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.864 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 4.2 m -58.88 -55.04 40.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 75.14 110.869 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 5.3 mt -64.14 -34.62 78.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 75.41 110.916 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.18 -35.29 35.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 72.51 111.113 179.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -54.93 -60.64 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 75.3 110.91 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -35.86 75.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.937 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 5.2 tmt_? -56.84 -63.12 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 75.02 110.896 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -39.71 69.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.901 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -53.26 -59.84 4.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 73.34 110.84 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -67.2 -35.89 80.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.871 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -35.59 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 72.12 110.829 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.27 -41.93 60.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 74.21 111.099 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -75.57 -50.92 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.42 110.906 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 25.7 tttt 55.08 41.9 31.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.912 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 95.0 m -49.31 -54.68 15.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 74.41 111.159 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.19 145.38 26.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.9 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -157.11 42.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.856 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -174.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 75.14 110.934 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -130.28 -96.61 0.76 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 71.53 112.479 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -158.94 134.5 8.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 75.14 110.928 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -147.41 80.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 74.52 110.891 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -100.92 -166.03 28.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 70.12 112.466 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -171.6 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.671 2.247 . . . . 74.05 112.349 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -70.35 -74.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.54 110.916 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 157.21 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.01 110.838 179.899 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 6.0 mttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 74.2 110.847 179.877 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.893 0.378 . . . . 74.34 110.868 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -162.06 137.21 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.511 . . . . 73.04 110.877 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -162.96 179.28 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 75.14 111.05 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -101.41 -176.43 3.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.12 111.098 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 72.5 m -138.78 135.8 35.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 73.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -168.77 156.22 7.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 71.32 110.926 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.75 133.11 50.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.11 111.144 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 6.8 m -68.78 -50.13 52.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 71.1 110.861 -179.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 3.6 tpt -59.87 -40.23 87.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 71.15 110.831 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -73.83 -35.81 64.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 75.24 110.849 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 43.0 t -70.91 -38.72 72.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.897 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -74.75 -34.64 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.889 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.55 -47.24 56.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 73.52 110.909 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -57.52 -27.93 63.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.914 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -75.89 -36.35 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.862 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 29.2 mt -63.11 -37.83 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 73.14 111.112 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -71.96 -48.54 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.44 110.827 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.66 93.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 73.4 111.103 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -55.0 -47.01 75.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.911 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 40.5 mt -69.74 -33.72 57.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 73.32 111.128 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -52.0 63.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.35 110.866 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -73.75 -27.93 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 73.11 110.906 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.2 p -79.02 -2.85 42.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.881 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 39.9 mt -120.52 26.33 9.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 72.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -70.03 169.9 12.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.893 179.829 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.2 tp -83.93 -38.98 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 75.13 111.098 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.53 -29.77 15.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.25 110.866 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -111.03 37.11 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.901 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 20.0 tp -52.34 107.41 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 73.5 110.907 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -129.55 79.69 1.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 74.15 110.906 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 15.5 m -62.42 -26.51 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 73.32 111.165 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -51.58 -40.38 59.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 71.21 110.849 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -33.56 59.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.877 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 31.4 t -53.29 -61.17 2.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.905 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -53.51 -47.09 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 72.41 111.166 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.91 -36.47 49.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.93 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.96 -50.33 13.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.118 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 6.1 mt -51.96 -36.0 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 75.53 110.906 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.62 -46.62 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.857 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.61 -44.5 93.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.893 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.47 -51.78 57.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 75.32 110.925 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.09 -33.62 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 74.42 111.07 179.848 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.85 -36.47 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 74.33 110.851 -179.77 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.86 113.67 9.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 72.4 110.951 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -74.45 74.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.866 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.09 120.05 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 54.23 111.12 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.0 t -80.43 163.59 23.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 73.21 111.142 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -48.26 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.878 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -51.68 -52.66 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 70.25 110.864 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -37.85 88.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 71.44 110.93 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.47 -51.31 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.095 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -52.2 -36.08 50.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.914 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.36 -34.82 48.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 75.54 110.877 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -95.23 35.62 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.866 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.3 p -61.69 -35.44 78.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 63.35 111.168 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.84 -46.72 87.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 65.31 110.912 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 19.2 ttp -55.27 -40.69 71.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.888 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 8.5 mt -64.12 -46.6 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 72.42 111.132 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 1.7 m -55.28 -40.68 71.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 73.22 111.151 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 85.2 m -62.94 -38.61 91.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 72.14 111.131 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.01 -35.73 73.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 75.13 110.905 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -76.16 -29.02 57.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 75.05 110.894 179.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -75.04 -35.21 61.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.14 110.943 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.447 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 36.5 pt -74.11 -1.59 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.44 111.121 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -32.77 36.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 64.01 110.886 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.03 -20.39 7.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.936 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.447 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -41.58 119.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.903 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.87 135.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.904 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.8 p -55.78 138.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 53.33 111.136 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.4 t -68.82 175.37 3.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.865 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -77.2 -35.84 55.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.926 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.99 -38.63 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.33 111.148 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.42 -54.23 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.31 111.105 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 24.5 ptp -60.81 -32.85 72.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.03 110.897 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.44 -41.75 65.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.887 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -71.07 -39.1 72.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.884 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 59.1 p -54.91 -48.17 73.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.89 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 95.0 m -52.65 -46.72 67.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 73.02 111.135 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -52.26 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 75.45 110.866 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.37 -39.49 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 74.02 110.893 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -54.69 -51.86 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.889 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -69.8 -36.47 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.911 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -53.62 -47.39 70.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.885 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -70.89 -44.04 67.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 75.33 110.919 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -49.61 63.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 75.43 110.875 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.4 -34.05 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 70.12 110.847 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 15.9 mtm -85.87 -26.28 25.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.873 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -67.39 -37.5 83.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 65.35 110.844 -179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -57.6 3.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.931 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 13.1 p 179.31 52.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.11 179.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 50.54 -103.63 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 40.42 112.482 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -148.61 49.59 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 75.51 110.923 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -71.21 -135.38 0.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 64.41 112.505 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -95.64 36.06 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 72.32 110.859 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.01 122.97 47.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 75.02 110.881 -179.775 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 6.5 m -152.8 -178.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 75.31 111.103 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 15.1 mt 71.61 -70.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 70.31 111.113 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.61 119.62 5.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.3 111.169 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -107.8 35.9 2.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 73.44 110.928 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 6.3 m -152.83 71.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.03 111.127 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.61 -35.86 14.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.935 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -51.9 104.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.856 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -116.1 -36.64 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.903 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 27.2 m -64.05 -54.99 25.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 75.54 110.832 -179.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.53 -35.87 65.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 75.3 110.905 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.71 -34.94 41.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.32 111.103 179.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.13 -60.73 2.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 72.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.89 -35.67 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 75.35 110.93 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -59.9 -35.74 75.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 73.33 110.919 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -51.73 -36.0 45.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.924 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -68.78 -49.29 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.886 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -58.7 5.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.875 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -51.89 -36.72 49.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.21 110.856 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.69 -37.08 49.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 74.2 111.111 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -52.56 -44.37 65.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.834 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 62.9 104.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.886 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 m -118.81 -43.0 2.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 60.34 111.148 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -103.46 160.12 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 75.02 110.912 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -155.75 87.99 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 75.11 110.894 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -84.2 167.8 16.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 72.43 110.889 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -77.83 -168.09 31.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.68 -0.771 . . . . 70.4 112.513 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.49 160.35 33.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 74.2 110.88 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -100.51 -51.49 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 65.12 110.889 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -174.28 169.88 42.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 75.31 112.484 179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 127.58 14.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 72.22 112.332 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.5 120.81 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 63.41 110.886 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.69 170.12 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.894 179.889 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.12 110.891 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.887 0.375 . . . . 74.43 110.838 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -162.11 137.36 7.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 75.44 110.862 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -163.13 179.28 7.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 74.23 111.102 179.859 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -101.34 -176.31 3.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 75.44 111.089 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 72.9 m -139.14 135.79 34.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 71.4 110.883 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -169.42 155.86 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.872 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.41 133.52 45.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 65.14 111.155 -179.921 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 6.8 m -69.78 -51.51 33.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 65.44 110.827 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 3.6 tpt -58.38 -40.31 81.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 74.41 110.86 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -73.21 -36.05 66.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.876 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 43.2 t -70.32 -39.52 74.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 73.54 110.867 -179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.54 -35.1 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 71.24 110.882 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.42 -47.92 52.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 64.05 110.962 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -58.22 -30.26 66.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.94 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -72.16 -36.61 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 73.31 110.85 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 19.0 mt -62.81 -40.35 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 75.43 111.113 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -67.83 -49.27 63.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.854 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.11 93.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 75.12 111.082 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -55.4 -46.08 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 74.45 110.892 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 40.7 mt -70.65 -33.79 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 73.45 111.124 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -55.59 -51.69 66.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.42 110.913 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -73.18 -26.59 61.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.926 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 3.2 p -82.1 -0.99 47.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 71.21 110.879 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 33.5 mt -121.34 26.35 8.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 70.21 110.911 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 170.74 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.891 179.853 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 6.1 tp -84.25 -39.3 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.139 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -92.85 -30.65 15.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 71.24 110.861 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -110.23 37.21 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.908 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 22.8 tp -52.36 107.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.914 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.41 80.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.899 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 15.4 m -63.05 -26.22 40.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 64.02 111.148 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -51.63 -40.44 59.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 75.41 110.906 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -33.46 60.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.853 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.34 -61.26 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.04 110.881 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -53.54 -46.19 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 73.42 111.121 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.93 -37.23 51.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.94 -49.19 16.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 73.15 111.08 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 6.1 mt -52.1 -35.45 47.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.891 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -66.51 -45.09 80.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.913 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -60.46 -45.53 93.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 71.12 110.879 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -52.34 54.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 72.31 110.901 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.39 -33.66 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 71.22 111.104 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -36.33 62.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 63.33 110.834 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.2 mt -72.39 113.9 9.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 75.1 110.939 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -74.29 74.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.922 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.9 119.96 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 70.22 111.104 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 12.8 t -79.27 163.32 25.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.139 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 14.3 tpt -53.11 -47.16 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.883 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -52.01 -52.1 52.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.911 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -35.98 82.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.939 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.64 -51.37 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 64.44 111.078 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.95 -36.12 59.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.943 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -35.44 51.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 71.25 110.864 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -95.25 35.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.873 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 4.2 p -61.6 -35.4 77.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 64.12 111.138 -179.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.68 -46.33 87.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.925 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 18.5 ttp -55.34 -41.61 72.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.869 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 7.5 mt -63.64 -46.09 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 73.32 111.089 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 1.7 m -55.5 -40.7 72.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 75.14 111.138 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.0 m -63.14 -39.3 94.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 73.13 111.167 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 18.6 mt -58.14 -35.81 72.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.909 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -76.18 -29.02 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.88 179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -75.05 -35.17 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.883 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.464 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 36.5 pt -74.11 -1.84 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 55.54 111.117 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -32.89 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 71.35 110.814 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.73 -20.35 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.874 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.5 OUTLIER -41.79 118.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.941 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.5 134.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.874 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 9.7 p -54.66 139.06 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 73.41 111.139 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.1 t -69.69 176.06 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 72.24 110.852 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -77.67 -35.89 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.54 110.924 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.18 -38.53 81.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 75.33 111.145 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.32 -54.09 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.43 111.142 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.1 ptp -60.84 -32.91 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.849 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.15 -42.42 65.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.928 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -70.4 -39.01 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 74.54 110.867 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 56.2 p -55.04 -48.21 73.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 75.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 95.8 m -52.83 -46.78 67.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 71.42 111.116 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -52.25 49.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.842 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.12 -40.24 86.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.932 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -54.0 -52.55 60.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 75.05 110.913 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -69.06 -36.54 77.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 72.53 110.896 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -53.64 -46.99 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.32 110.88 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.22 -43.99 66.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 72.12 110.894 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -49.79 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 74.04 110.865 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.46 -34.13 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 62.42 110.916 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 17.2 mtm -85.8 -25.44 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.908 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -68.89 -37.35 78.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.14 110.915 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.62 -56.95 4.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 73.43 110.893 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 12.7 p 178.69 52.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.097 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 50.68 -103.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 71.44 112.438 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -148.7 50.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 72.42 110.929 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -68.15 -134.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 64.44 112.536 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 30.4 p30 -98.67 37.85 1.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 74.12 110.863 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.68 111.21 21.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.837 -179.76 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 4.3 m -153.32 81.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 75.42 111.133 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -170.02 -75.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 75.54 111.111 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.05 119.73 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.35 111.125 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.97 40.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 72.33 110.914 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 6.4 m -152.7 68.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 74.11 111.121 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.22 -36.06 15.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 73.25 110.898 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -53.32 104.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.88 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -115.66 -36.17 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.893 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 27.2 m -64.25 -54.9 26.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 75.14 110.833 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.9 -35.83 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.934 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.56 -34.94 39.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 72.51 111.129 179.771 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.15 -60.76 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 75.3 110.908 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -35.84 75.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.926 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -59.79 -35.97 75.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 75.02 110.904 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -51.53 -35.89 42.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 75.1 110.938 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -69.28 -48.54 61.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.886 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -59.32 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.915 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -51.9 -36.28 48.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.887 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.77 -37.26 50.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.21 111.124 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -52.43 -44.17 65.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.93 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 62.86 103.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 73.23 110.91 179.865 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 7.0 m -118.53 -42.76 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 74.41 111.112 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -103.6 160.09 15.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 73.2 110.846 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -155.7 88.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.849 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -84.07 167.87 16.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.901 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -77.78 -168.01 30.78 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.745 . . . . 71.53 112.485 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.67 160.38 33.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 75.14 110.9 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -100.67 -51.32 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.52 110.862 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -174.43 169.9 42.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 70.12 112.498 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 127.58 14.84 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.741 2.294 . . . . 74.05 112.318 -179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.55 120.83 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 71.54 110.898 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.79 170.0 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.01 110.867 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 74.2 110.927 179.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.843 0.354 . . . . 74.34 110.817 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.16 -37.15 34.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 73.04 110.908 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.59 148.75 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 75.14 111.072 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -141.93 -172.95 3.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.12 111.115 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 2.5 p -53.7 121.91 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 73.0 110.857 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.98 155.44 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 71.32 110.902 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.34 49.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 73.11 111.126 -179.885 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.09 -44.37 64.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 71.1 110.846 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.8 ttt -53.0 -35.26 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 71.15 110.914 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.55 -48.1 35.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.24 110.873 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.02 -40.39 73.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.41 110.865 -179.753 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 6.1 ptm85 -75.5 -34.28 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 74.54 110.883 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -47.96 84.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.52 110.886 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -25.65 43.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.906 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -76.98 -34.91 57.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 75.43 110.88 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 73.3 mt -64.99 -42.22 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.14 111.13 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -71.86 -39.0 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 71.44 110.889 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.9 -45.89 66.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 73.4 111.086 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -54.98 -53.72 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.895 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 41.8 mt -54.24 -34.25 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 73.32 111.134 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.32 -45.46 94.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.941 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -75.78 -30.55 59.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.882 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.6 p -80.86 -1.21 42.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.911 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 35.2 mt -121.6 26.19 8.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 72.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -70.99 171.16 11.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.931 179.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 6.0 tp -84.34 -40.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 75.13 111.187 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -93.65 -30.65 14.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.865 179.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -109.8 36.26 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.913 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 23.1 tp -53.34 107.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 73.5 110.948 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -124.62 67.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.906 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 9.6 m -51.06 -30.97 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 73.32 111.139 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -52.27 -41.31 62.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.894 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -34.33 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.872 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 34.9 t -53.33 -46.07 69.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.866 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.7 mt -65.64 -48.44 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.41 111.129 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.79 -34.74 41.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.902 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.96 -53.52 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.084 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 44.7 mt -52.22 -42.76 63.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 75.53 110.904 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -34.91 76.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.837 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.16 -45.31 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.864 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.37 -34.88 74.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.903 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -74.72 -34.41 62.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 74.42 111.086 179.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 5.8 m -77.34 -33.97 55.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.882 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 23.2 mt -55.1 -35.07 64.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 72.4 110.878 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 60.15 49.21 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.864 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.64 140.62 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 54.23 111.161 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -85.94 174.35 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.21 111.149 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 10.6 tpt -62.16 -36.9 83.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 74.41 110.872 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -54.29 -51.56 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 70.25 110.89 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -74.27 -36.04 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 71.44 110.937 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.06 96.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 74.33 111.063 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -35.93 43.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 75.25 110.917 -179.901 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -73.03 -35.05 66.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 75.54 110.937 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -101.26 35.73 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.847 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.77 -34.85 63.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 63.35 111.148 -179.922 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.04 -38.22 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 65.31 110.894 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 36.2 ttp -55.3 -45.88 76.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 74.31 110.855 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 2.8 mp -62.03 -36.49 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.42 111.082 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 25.8 m -54.22 -36.73 63.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 73.22 111.09 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -73.61 -35.19 65.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 72.14 111.149 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.09 -36.28 74.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 75.13 110.929 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -29.26 57.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 75.05 110.847 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -75.4 -35.51 61.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.941 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.457 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 39.9 pt -73.38 -1.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.44 111.151 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -33.89 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 64.01 110.841 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.43 -20.08 7.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.91 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.457 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -42.89 113.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.891 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -175.67 133.65 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.897 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 2.3 m -52.18 144.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 53.33 111.086 179.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -85.54 156.46 20.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.834 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -51.99 -35.75 47.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.925 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.4 p -59.04 -39.8 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 73.33 111.117 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 78.6 mt -72.24 -49.55 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 74.31 111.112 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 18.8 mtm -61.55 -32.31 72.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 74.03 110.932 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.35 -53.19 13.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.858 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -59.54 -38.61 81.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.835 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.8 p -55.04 -49.55 71.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 72.43 110.895 -179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 87.4 m -55.52 -47.7 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 73.02 111.108 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 6.6 ttp -50.95 -44.97 60.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.45 110.907 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 90.2 mt -74.34 -40.45 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 74.02 110.912 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -57.94 -60.76 3.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.905 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.28 -35.1 71.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 73.14 110.885 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -56.94 -49.64 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.868 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -70.14 -37.15 75.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 75.33 110.884 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -60.77 -47.13 87.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.875 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -51.86 -34.95 43.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 70.12 110.866 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 67.0 mtm -85.86 -34.88 20.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 74.21 110.911 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -63.17 -37.01 85.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.35 110.894 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.0 -34.27 57.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.872 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 97.9 t 59.44 84.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 74.14 111.15 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 73.16 90.67 0.13 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.73 . . . . 40.42 112.485 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.86 145.83 55.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.391 . . . . 75.51 110.881 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 76.99 125.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 64.41 112.486 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -153.89 172.63 17.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 72.32 110.885 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 19.4 m -128.11 99.21 5.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 75.02 110.85 -179.798 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 4.6 t 66.54 43.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 75.31 111.136 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -169.56 135.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 70.31 111.134 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 12.3 t -130.08 140.74 50.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 73.3 111.14 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -97.91 70.65 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.898 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 24.8 m -51.84 140.75 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.11 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 1.6 mt -165.8 -69.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.937 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -162.41 61.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.861 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.07 13.46 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 73.11 110.884 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 2.6 t -62.27 -38.61 89.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 75.54 110.904 -179.917 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.53 -35.87 68.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 75.3 110.896 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.8 -38.06 54.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.32 111.066 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -57.69 -38.64 75.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 72.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -70.54 -35.98 73.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.35 110.913 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -52.02 -60.72 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.33 110.863 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.56 -36.17 69.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 74.13 110.878 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.03 -59.69 4.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.879 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.43 -43.25 64.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.885 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.27 -35.95 51.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.838 -179.914 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -56.6 -36.59 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.2 111.074 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -44.68 70.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.879 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -91.52 -172.9 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.893 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -171.11 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 60.34 111.144 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.87 120.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 75.02 110.871 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.95 124.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.916 179.894 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 179.27 -173.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.909 -179.898 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -163.73 55.17 0.28 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 70.4 112.506 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.34 49.82 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 74.2 110.914 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.38 168.34 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.907 179.864 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 60.65 167.1 0.32 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 75.31 112.492 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 78.72 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.265 . . . . 72.22 112.346 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 2.4 m120 57.31 36.26 27.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 63.41 110.898 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -126.91 -178.46 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.34 110.872 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 10.7 mttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.887 179.83 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.341 . . . . 74.43 110.861 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -37.21 33.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.836 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.54 148.9 28.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 74.23 111.082 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -141.82 -173.12 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.153 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 2.5 p -53.89 121.93 8.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.844 -179.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.18 155.02 42.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 74.54 110.909 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.82 48.97 1.02 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 65.14 111.173 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -44.45 63.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 65.44 110.839 -179.849 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.9 ttt -53.18 -36.46 60.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.41 110.87 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.88 -45.84 56.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 75.42 110.872 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -40.41 80.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 73.54 110.862 -179.77 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -75.16 -34.24 61.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 71.24 110.906 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -47.74 84.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 64.05 110.919 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -25.25 42.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.44 110.854 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -76.79 -35.74 57.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.906 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 70.8 mt -64.8 -42.66 95.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 75.43 111.174 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -70.76 -39.43 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.855 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.93 67.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.12 111.095 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.28 -53.16 59.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.855 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 38.1 mt -54.18 -35.34 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.45 111.137 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -62.99 -43.38 98.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 74.42 110.897 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -76.05 -29.24 57.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.891 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 6.7 p -84.33 -0.51 52.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.894 -179.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 33.4 mt -120.85 26.58 9.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 70.21 110.881 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 171.94 10.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 75.01 110.909 179.811 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 5.9 tp -84.71 -40.71 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.155 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -93.16 -31.52 14.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 71.24 110.872 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -108.7 36.22 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 75.13 110.916 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 22.7 tp -53.62 107.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.879 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -124.99 67.86 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.867 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 9.9 m -51.23 -30.44 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 64.02 111.111 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -52.19 -41.38 62.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 75.41 110.903 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -34.14 60.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 72.11 110.86 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 33.0 t -53.16 -47.1 69.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.861 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.7 mt -64.99 -47.59 87.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 73.42 111.128 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.9 -35.49 45.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.62 -53.84 7.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 73.15 111.09 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 44.6 mt -52.21 -42.66 63.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 73.21 110.891 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -35.02 76.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.852 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.55 -45.33 72.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 71.12 110.852 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.29 -35.67 74.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 72.31 110.898 -179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -74.07 -34.79 64.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 71.22 111.157 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 5.8 m -76.48 -34.06 58.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.33 110.849 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.31 -34.85 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 75.1 110.959 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 59.8 49.38 8.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 73.33 110.946 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.78 141.22 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 70.22 111.16 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -86.83 174.34 8.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 75.32 111.162 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 11.3 tpt -61.86 -38.24 87.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 75.31 110.86 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -52.17 -52.01 54.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 74.44 110.93 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -36.04 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 74.23 110.879 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.69 92.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 64.44 111.123 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -35.9 45.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.905 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -72.61 -35.58 67.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 71.25 110.909 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -101.12 35.66 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.898 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.74 -35.21 63.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 64.12 111.117 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.38 -38.15 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.871 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 35.5 ttp -55.4 -46.6 76.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.889 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 2.7 mp -61.11 -35.48 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.146 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.0 m -54.96 -37.54 66.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 75.14 111.142 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.4 m -72.59 -35.61 67.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.13 111.188 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 29.6 mt -58.5 -36.61 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 75.11 110.887 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -28.91 57.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.946 179.812 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -75.59 -35.36 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 72.14 110.907 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.469 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 39.9 pt -73.46 -1.7 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 55.54 111.124 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.15 -34.01 43.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.35 110.869 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -20.25 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.897 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.469 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.8 OUTLIER -42.68 113.45 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.912 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -175.65 133.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.919 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.3 m -51.95 145.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.41 111.161 179.829 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -86.28 156.36 20.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.863 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -51.76 -35.79 44.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.91 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.12 -40.18 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 75.33 111.102 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 77.7 mt -71.6 -50.41 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.147 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.7 mtm -60.89 -32.84 72.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 75.13 110.879 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.63 -53.44 13.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.847 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -59.41 -39.51 83.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.54 110.872 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 60.0 p -55.06 -48.33 73.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 75.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 90.4 m -55.38 -51.65 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 71.42 111.168 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 6.6 ttp -48.88 -43.71 39.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 75.51 110.916 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 86.4 mt -75.15 -34.91 61.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.913 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -60.48 -63.06 1.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.905 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -59.57 -31.4 69.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 72.53 110.902 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -56.26 -47.98 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 72.32 110.889 179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -75.75 -35.89 60.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 72.12 110.896 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -60.57 -47.7 85.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.04 110.9 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -51.49 -35.16 38.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 62.42 110.87 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 67.6 mtm -85.81 -33.73 21.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.891 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -63.59 -37.15 86.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 75.14 110.84 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.67 -34.73 52.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.912 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 97.1 t 60.05 83.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.135 179.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 74.98 91.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 71.44 112.512 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.25 145.82 53.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 72.42 110.886 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 72.34 121.89 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.763 . . . . 64.44 112.47 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -161.28 169.62 21.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.824 0.345 . . . . 74.12 110.901 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 19.5 m -118.88 118.15 30.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 72.34 110.837 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 13.3 t 66.07 117.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 75.42 111.108 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 13.0 mt 67.72 140.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.54 111.136 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 13.0 t -124.87 169.56 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 73.35 111.172 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -88.28 80.11 7.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.89 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 24.9 m -64.11 143.18 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 74.11 111.159 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 1.8 mt -163.79 -72.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.884 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -156.75 61.55 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.938 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.48 13.56 23.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.907 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 2.6 t -61.51 -38.77 88.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.835 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -35.89 69.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 75.41 110.935 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.62 -37.85 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.51 111.131 179.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.67 -38.53 75.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 75.3 110.883 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -70.83 -35.92 72.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 75.01 110.922 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -51.82 -61.4 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 75.02 110.868 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.01 -35.91 67.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 75.1 110.913 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.15 -59.37 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 73.34 110.801 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -72.76 -43.27 63.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 75.43 110.917 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -36.49 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 72.12 110.889 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -53.22 -35.67 60.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 74.21 111.075 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.37 -41.28 61.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.856 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -79.3 -170.39 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 73.23 110.867 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.08 94.04 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 74.41 111.19 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 177.61 35.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 73.2 110.888 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.57 -167.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.888 179.857 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 68.2 164.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 75.14 110.908 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -141.96 72.78 0.38 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.716 -0.754 . . . . 71.53 112.47 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.01 48.35 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 75.14 110.873 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.23 172.17 7.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 74.52 110.878 179.838 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 61.28 165.79 0.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.753 . . . . 70.12 112.528 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 79.63 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 74.05 112.328 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 2.4 m120 56.48 36.52 27.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 71.54 110.877 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -126.37 -178.55 4.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.905 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 10.8 mttp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 74.2 110.927 179.843 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.876 0.37 . . . . 74.34 110.83 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -110.27 -169.9 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 73.04 110.876 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . 179.7 118.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 75.14 111.058 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -82.66 107.56 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.095 179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.06 46.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 73.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.15 -170.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.933 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 20.4 p -51.69 -34.69 39.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 73.11 111.112 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.9 m -51.48 -35.9 42.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 71.1 110.896 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -36.16 60.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 71.15 110.821 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 75.24 110.865 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -37.47 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 64.41 110.909 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -74.99 -33.89 61.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 74.54 110.84 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 2.3 mp -71.19 -47.78 55.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.903 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -56.07 -30.37 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.894 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.44 -39.4 46.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.859 -179.895 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 22.8 mt -63.0 -37.07 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.14 111.114 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -72.07 -45.85 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 71.44 110.914 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.15 86.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 73.4 111.123 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.0 -41.68 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.869 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.9 -35.45 59.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.121 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -54.77 -48.74 72.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.902 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.62 -28.98 59.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.922 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.2 p -78.19 -3.08 40.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.51 110.878 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 55.6 mt -121.74 26.21 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 72.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 171.36 8.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.907 179.859 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 365' ' ' ILE . . . . . . . . . . . . . 5.5 tp -84.74 -41.94 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.163 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -91.43 -32.72 15.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.849 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -109.67 36.26 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.883 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.56 107.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 73.5 110.918 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -123.98 70.05 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.877 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 6.3 m -54.34 -29.52 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.32 111.132 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -52.08 -40.29 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 71.21 110.879 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.81 -34.48 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.865 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 38.0 t -53.36 -45.29 69.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 75.13 110.886 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -66.84 -37.67 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.41 111.147 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.39 -36.14 81.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.895 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.04 -53.8 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.147 179.897 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 15.9 mt -52.07 -43.72 63.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.905 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -62.97 -33.64 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.883 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.43 -49.07 65.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 72.41 110.89 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 380' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.65 -44.31 62.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 75.32 110.925 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.44 67.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 74.42 111.089 179.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.59 27.23 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.849 -179.729 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 17.4 mt -114.87 -32.42 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 72.4 110.901 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 49.56 48.54 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.925 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.16 148.17 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 54.23 111.133 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.0 t -80.23 175.21 10.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 73.21 111.112 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 10.6 tpt -69.6 -40.04 76.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.819 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -51.84 -49.2 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 70.25 110.89 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.04 -35.7 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 71.44 110.89 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.88 98.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 74.33 111.081 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -36.03 42.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 75.25 110.924 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -72.78 -34.31 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.944 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -95.4 35.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.899 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -34.66 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 63.35 111.148 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.7 -43.65 97.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 65.31 110.877 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 34.4 ttp -55.25 -43.69 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.895 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 397' ' ' ILE . . . . . . . . . . . . . 3.4 mt -64.7 -45.07 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.42 111.094 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.16 -34.72 61.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.22 111.158 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 86.4 m -71.09 -34.94 71.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 72.14 111.111 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.61 -36.31 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.892 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -76.33 -28.84 57.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 75.05 110.917 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -75.08 -35.77 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.884 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 403' ' ' ILE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 406' ' ' PHE . 36.4 pt -73.16 -2.02 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 75.44 111.126 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -34.13 49.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 64.01 110.884 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 -19.98 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 75.44 110.859 -179.907 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 406' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 1.0 OUTLIER -42.2 113.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.842 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -175.68 134.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.926 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 2.6 m -54.07 143.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 53.33 111.111 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 39.2 t -82.62 154.08 25.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.85 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -51.45 -34.49 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 74.23 110.945 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.1 p -59.0 -39.73 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.33 111.116 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 87.8 mt -72.9 -44.16 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.148 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 9.0 mtt -62.98 -33.34 75.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.03 110.925 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.19 -53.32 11.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.896 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -56.79 -40.12 75.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.891 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 73.0 p -55.06 -51.86 65.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.829 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 58.7 m -52.92 -50.04 64.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 73.02 111.148 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -44.02 47.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 75.45 110.841 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.41 -38.16 63.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 74.02 110.957 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.28 -60.12 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.942 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -56.68 -35.73 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.14 110.911 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -53.07 -53.72 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.931 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -71.56 -35.87 70.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.33 110.898 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -58.06 -53.97 52.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.883 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.36 -32.27 48.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 70.12 110.868 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 9.8 mtm -80.63 -27.45 37.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.871 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -77.44 -35.19 54.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.912 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 2.8 pp -92.66 -46.09 7.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 74.43 110.937 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 92.4 t 51.43 79.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.147 179.881 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 51.49 -104.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 40.42 112.476 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -151.25 -169.58 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 75.51 110.915 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -126.62 164.08 20.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.759 . . . . 64.41 112.459 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -72.51 82.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 72.32 110.815 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.63 129.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.893 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.54 74.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 75.31 111.138 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 8.5 mt -143.54 42.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 70.31 111.063 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.07 38.75 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.3 111.109 179.91 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.6 145.48 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 73.44 110.872 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 21.6 t -144.04 112.64 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 73.03 111.116 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 3.9 mt -100.5 178.13 4.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.893 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 52.87 37.71 24.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 64.43 110.931 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.56 13.26 16.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 73.11 110.916 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 1.9 m -79.17 -55.11 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 75.54 110.851 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.08 -34.66 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 75.3 110.946 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.19 -35.3 35.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.32 111.103 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.29 -48.73 73.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 72.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -76.77 -35.84 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 75.35 110.932 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -51.96 -35.89 47.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.875 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -35.87 43.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.961 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -60.09 -45.19 93.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.51 110.821 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -77.47 -53.97 6.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 75.33 110.866 -179.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -51.83 -35.92 46.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.21 110.86 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.69 -35.52 43.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.2 111.084 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -70.68 -41.41 72.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.14 110.894 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.09 174.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.871 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.32 178.64 9.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 60.34 111.135 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.17 -178.19 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.933 179.869 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -153.56 160.94 42.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 75.11 110.872 179.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -176.9 138.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 72.43 110.948 -179.893 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 169.84 -146.97 10.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 70.4 112.469 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.43 -171.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 74.2 110.861 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -90.82 152.03 20.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.864 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 179.85 67.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.754 . . . . 75.31 112.459 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 165.8 29.78 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.619 2.213 . . . . 72.22 112.346 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -114.65 -174.5 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 63.41 110.89 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.08 142.93 49.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.882 179.91 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 73.12 110.854 179.833 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.921 0.391 . . . . 74.43 110.822 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.85 -75.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 75.44 110.904 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . 67.32 118.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.23 111.117 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -90.3 117.44 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 75.44 111.106 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.18 48.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 71.4 110.878 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.97 -169.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.107 -0.497 . . . . 74.54 110.88 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 20.2 p -51.3 -35.04 35.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 65.14 111.1 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 12.2 m -51.76 -35.64 44.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 65.44 110.898 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -36.79 61.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 74.41 110.871 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.63 -37.16 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.833 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -38.31 83.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.54 110.86 -179.782 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -74.33 -34.18 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.856 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 1.7 mp -71.08 -47.79 56.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 64.05 110.9 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.36 -30.08 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.928 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.18 -39.35 55.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.895 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 16.2 mt -63.61 -38.44 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 75.43 111.155 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -70.38 -46.38 64.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.889 179.836 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.87 84.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.12 111.104 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.98 -43.08 77.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.855 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 40.4 mt -69.8 -33.96 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 73.45 111.16 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -52.42 -51.96 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 74.42 110.893 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -75.16 -27.05 59.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.918 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -77.49 -4.07 43.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.894 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 57.5 mt -121.56 25.82 9.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 70.21 110.906 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 170.39 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.88 179.865 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 365' ' ' ILE . . . . . . . . . . . . . 6.0 tp -84.73 -40.52 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 74.33 111.133 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -91.89 -32.55 15.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 71.24 110.871 179.842 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -110.63 36.26 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.918 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 16.3 tp -53.33 107.67 0.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.934 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -122.92 69.18 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.856 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 7.2 m -53.68 -30.06 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 64.02 111.146 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -52.14 -40.29 61.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 75.41 110.879 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.7 -34.5 60.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.11 110.87 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.32 -46.46 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 73.04 110.924 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -66.06 -36.61 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 73.42 111.162 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.21 -38.08 89.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.56 -52.59 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.15 111.124 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 16.4 mt -52.24 -42.04 63.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.896 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -62.96 -35.53 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.862 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.33 -50.04 71.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 71.12 110.88 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -52.91 -45.49 67.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 72.31 110.932 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.97 -33.79 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 71.22 111.084 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.73 -28.75 61.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 63.33 110.844 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.15 96.87 10.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 75.1 110.918 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.71 69.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 73.33 110.902 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 2.7 p -66.82 141.14 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 70.22 111.125 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -77.05 174.88 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.32 111.12 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 10.5 tpt -68.33 -40.23 81.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.866 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -51.92 -48.9 64.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.857 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -36.26 63.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.937 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.88 97.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 64.44 111.108 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -36.19 46.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 71.43 110.918 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -71.48 -34.78 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.89 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -95.27 35.62 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.855 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.05 -35.27 59.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 64.12 111.145 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.44 -42.14 91.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.822 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 27.7 ttp -55.26 -49.21 72.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.924 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 397' ' ' ILE . . . . . . . . . . . . . 2.7 mp -58.53 -45.91 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.171 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.09 -36.13 62.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 75.14 111.173 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.1 m -70.54 -37.04 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.13 111.165 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.04 -35.23 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 75.11 110.943 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -76.89 -29.11 55.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.907 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -75.45 -35.08 60.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 72.14 110.905 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 403' ' ' ILE . . . . . 0.464 ' HA ' ' HB3' ' B' ' 406' ' ' PHE . 39.3 pt -73.3 -1.74 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 55.54 111.143 179.891 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -33.81 42.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 71.35 110.88 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.13 -20.01 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 73.43 110.901 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 406' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 1.1 t80 -41.98 112.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.51 110.903 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -175.05 134.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.918 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.8 m -55.01 141.47 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 73.41 111.132 179.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.5 t -81.05 155.59 26.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 72.24 110.853 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -52.55 -34.14 48.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 73.54 110.933 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -58.52 -39.98 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 75.33 111.138 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 412' ' ' ILE . . . . . . . . . . . . . 85.7 mt -73.09 -46.55 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.43 111.143 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 9.0 mtt -62.1 -31.37 71.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.897 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.79 -51.51 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.912 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -59.87 -38.34 81.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.54 110.909 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.2 p -55.51 -51.93 65.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 75.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.6 m -53.67 -43.01 68.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.503 . . . . 71.42 111.141 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -50.44 63.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 75.51 110.871 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.9 -39.6 69.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 73.32 110.9 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -51.78 -62.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.958 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -57.32 -33.8 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 72.53 110.851 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -52.85 -52.01 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.89 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -72.62 -36.75 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 72.12 110.873 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -57.41 -54.25 48.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 74.04 110.869 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.06 -32.67 48.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 62.42 110.862 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 9.4 mtm -80.96 -27.69 35.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.921 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -77.17 -35.05 56.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 75.14 110.892 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 2.9 pp -93.24 -45.97 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 73.43 110.966 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 91.8 t 51.46 80.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 74.44 111.109 179.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 51.12 -104.1 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 71.44 112.508 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -151.63 -171.0 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 72.42 110.919 -179.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -137.97 157.54 24.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 64.44 112.456 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -71.8 104.21 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 74.12 110.91 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.09 -169.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 72.34 110.846 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 7.0 m -50.95 164.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 75.42 111.116 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 14.2 mt -85.46 53.14 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 75.54 111.097 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -166.4 31.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 73.35 111.099 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.99 148.23 47.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.896 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.05 111.94 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.11 111.128 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 3.7 mt -104.55 176.43 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.921 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 51.9 36.09 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 73.41 110.886 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.84 13.2 19.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.883 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 1.9 m -79.14 -54.92 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 75.14 110.872 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.0 -35.22 64.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 75.41 110.916 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.0 -35.47 34.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 72.51 111.063 179.807 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -48.91 73.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 75.3 110.875 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -76.82 -35.92 57.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 75.01 110.945 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -51.87 -35.76 46.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 75.02 110.895 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -35.77 45.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 75.1 110.908 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -60.15 -44.92 94.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 73.34 110.826 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.6 -53.87 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.91 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -51.95 -35.93 47.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 72.12 110.9 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.69 -35.56 43.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.095 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -70.57 -41.27 72.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.875 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.08 174.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.906 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.71 178.66 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.168 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.28 -178.03 3.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.885 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 46.2 p30 -153.73 161.05 42.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 72.44 110.891 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -177.1 138.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 75.14 110.91 -179.871 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 169.58 -147.07 10.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 71.53 112.474 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.21 -171.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.33 . . . . 75.14 110.918 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -90.91 152.05 20.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.904 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 179.83 67.19 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 70.12 112.479 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 165.62 30.28 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.747 2.298 . . . . 74.05 112.355 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -114.44 -174.52 2.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 71.54 110.91 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.04 142.96 49.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 74.01 110.906 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.279 -0.419 . . . . 74.2 110.918 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.816 0.341 . . . . 60.3 110.871 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.57 -37.69 63.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 71.15 110.884 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.73 -36.3 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.845 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.8 t -68.96 -38.91 79.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 64.41 110.839 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 351' ' ' ARG . . . . . 0.623 ' CZ ' HD21 ' A' ' 383' ' ' LEU . 11.9 ptm180 -74.83 -34.25 62.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 74.54 110.893 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.696 ' HA ' HD12 ' A' ' 355' ' ' ILE . 7.2 mt -69.62 -47.57 62.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 73.52 110.885 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.29 -27.44 62.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 72.33 110.904 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -76.87 -39.56 50.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 75.43 110.885 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 352' ' ' LEU . 30.2 mt -59.63 -38.7 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 73.14 111.142 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -72.1 -48.15 46.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.853 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.42 98.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 63.02 111.08 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -55.09 -46.52 75.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 64.34 110.91 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.446 HG23 ' SG ' ' A' ' 373' ' ' CYS . 43.7 mt -64.75 -33.4 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 73.32 111.107 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -63.01 -52.06 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.888 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -69.88 -30.22 67.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 61.12 110.942 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 13.6 p -75.67 -27.94 58.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 73.51 110.818 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.443 HD12 HG22 ' A' ' 359' ' ' ILE . 36.4 mt -94.38 26.84 3.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 63.44 110.924 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.47 170.4 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.876 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 0.941 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.29 -38.93 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 75.13 111.154 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -91.71 -32.67 15.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 72.25 110.869 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -106.57 36.4 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 65.54 110.881 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' B' ' 406' ' ' PHE . 16.2 tp -56.65 107.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 61.41 110.903 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -134.13 76.64 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.882 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.579 ' HB ' HD11 ' B' ' 412' ' ' ILE . 11.6 m -51.34 -29.21 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.13 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -51.71 -37.93 52.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.875 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -35.89 59.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 74.44 110.837 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 359' ' ' ILE . 7.9 t -54.76 -58.87 5.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 70.04 110.894 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.29 -40.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 55.44 111.148 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.61 -36.25 73.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.906 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.472 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -77.14 -53.88 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 74.24 111.099 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 17.4 mt -52.17 -35.45 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -63.22 -39.69 95.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 44.25 110.886 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -67.5 -50.0 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 34.12 110.903 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.625 HD12 HD13 ' B' ' 419' ' ' LEU . 3.3 tm? -52.93 -36.08 59.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 52.31 110.947 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.546 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -72.01 -40.27 68.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 53.33 111.13 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -35.76 74.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.831 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.623 HD21 ' CZ ' ' A' ' 351' ' ' ARG . 56.2 mt -61.0 135.76 57.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 63.21 110.93 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -92.64 56.24 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.957 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.89 136.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 44.12 111.109 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -100.45 172.84 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 72.12 111.12 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.2 tpt -55.23 -39.01 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.894 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -54.27 -52.66 60.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 70.25 110.948 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -72.99 -37.22 67.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 70.44 110.947 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.28 70.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.34 111.1 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 391' ' ' GLN . . . . . 0.47 ' O ' HG23 ' A' ' 394' ' ' THR . 1.6 mt-30 -51.8 -36.03 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.95 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -75.85 -35.8 59.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 71.12 110.881 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -97.96 35.55 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 70.14 110.832 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.607 HG22 ' CZ ' ' B' ' 427' ' ' PHE . 7.5 p -63.81 -34.53 78.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 63.35 111.159 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.24 -50.12 70.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 65.31 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.502 ' CE ' HD22 ' A' ' 352' ' ' LEU . 55.1 ttp -55.34 -35.19 64.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.91 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.813 ' HA ' HD12 ' A' ' 400' ' ' LEU . 49.9 mt -66.81 -35.38 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 64.34 111.126 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 2.7 m -59.88 -41.37 91.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 71.25 111.109 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.7 m -63.0 -40.09 96.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 64.32 111.162 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 397' ' ' ILE . 15.6 mt -52.96 -35.02 58.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.898 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -76.4 -28.47 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 75.05 110.884 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -75.79 -35.47 60.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 71.01 110.916 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 0.958 HG22 HD11 ' B' ' 365' ' ' ILE . 35.7 pt -73.13 -1.65 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.44 111.147 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -34.54 43.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.848 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -18.26 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.863 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.5 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -41.12 119.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 75.04 110.867 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.17 135.75 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.863 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.2 134.4 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 43.23 111.17 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 31.1 t -70.65 173.48 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.872 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.76 -34.16 64.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.966 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 411' ' ' VAL . . . . . 0.438 HG13 HG13 ' A' ' 412' ' ' ILE . 5.4 p -53.17 -41.1 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.11 111.149 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.583 HD11 ' HB ' ' B' ' 370' ' ' VAL . 93.8 mt -73.84 -48.3 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.31 111.133 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 19.5 mtm -56.7 -33.48 66.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 65.12 110.846 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -72.89 -52.97 12.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.899 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -58.64 -40.0 82.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.923 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 78.6 p -55.07 -49.9 70.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.829 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 85.8 m -55.09 -40.66 70.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 73.02 111.187 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 11.5 ttp -56.34 -49.35 74.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 71.21 110.896 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' B' ' 381' ' ' ALA . 53.6 mt -71.98 -37.39 69.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 71.2 110.943 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -62.74 -41.73 99.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.933 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.14 -45.27 57.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.14 110.844 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -53.66 -50.15 66.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.92 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -60.5 -40.43 91.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -58.13 -51.56 69.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 63.42 110.85 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.07 -35.38 47.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 44.24 110.916 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 34.9 mtm -73.76 -34.68 64.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.905 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.595 ' CZ ' HG22 ' B' ' 394' ' ' THR . 16.7 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 65.35 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.872 0.368 . . . . 65.44 110.841 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.25 -37.42 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 74.02 110.851 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.86 -35.03 64.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 75.42 110.848 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.8 t -69.68 -37.71 76.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 65.45 110.874 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 351' ' ' ARG . . . . . 0.672 ' CZ ' HD21 ' B' ' 383' ' ' LEU . 11.4 ptm180 -74.64 -34.48 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 64.45 110.917 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.77 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.2 mp -69.85 -48.15 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 63.21 110.867 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -56.75 -29.47 62.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 64.41 110.913 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -75.65 -39.79 57.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 71.42 110.866 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.77 HD12 ' HA ' ' B' ' 352' ' ' LEU . 18.1 mt -59.98 -38.28 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.148 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -71.68 -45.15 62.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.891 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.07 95.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 75.04 111.065 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -55.28 -46.4 76.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.88 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.442 HG23 ' SG ' ' B' ' 373' ' ' CYS . 48.4 mt -64.21 -33.98 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 62.43 111.151 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -62.93 -52.13 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.3 110.92 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -69.67 -30.09 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.88 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 15.3 p -75.72 -28.41 58.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.846 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.409 HD12 HG22 ' B' ' 359' ' ' ILE . 38.1 mt -94.01 26.8 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 45.15 110.911 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.37 170.48 8.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.89 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 0.958 HD11 HG22 ' A' ' 403' ' ' ILE . 5.5 tp -84.26 -38.77 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.33 111.147 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -91.91 -32.51 15.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 64.14 110.868 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -106.67 36.49 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 65.1 110.878 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 406' ' ' PHE . 16.6 tp -56.55 107.78 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.897 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -134.88 76.25 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.871 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.583 ' HB ' HD11 ' A' ' 412' ' ' ILE . 12.2 m -51.36 -28.79 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 64.02 111.133 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -51.8 -37.9 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.914 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -35.62 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 64.21 110.856 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.442 ' SG ' HG23 ' B' ' 359' ' ' ILE . 8.2 t -54.65 -58.84 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 61.02 110.916 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.26 -39.53 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 64.33 111.116 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.4 -36.86 74.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.568 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -77.02 -53.79 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 73.15 111.104 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 17.2 mt -52.21 -35.78 50.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 72.3 110.93 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -64.93 -37.1 86.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 54.03 110.853 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.1 -50.14 56.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 62.51 110.883 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.672 HD13 ' O ' ' B' ' 380' ' ' LEU . 1.9 tm? -55.68 -36.77 67.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.925 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 381' ' ' ALA . . . . . 0.487 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -68.74 -35.82 77.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.079 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -35.17 59.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 63.33 110.835 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 383' ' ' LEU . . . . . 0.672 HD21 ' CZ ' ' B' ' 351' ' ' ARG . 33.8 mt -60.6 136.93 58.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 71.02 110.969 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -93.93 56.48 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 65.43 110.905 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.95 137.54 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 70.11 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -100.44 172.93 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 45.24 111.147 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.12 -38.86 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 75.31 110.852 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -54.63 -51.63 64.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 74.44 110.915 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -73.84 -36.7 64.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.65 73.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 62.03 111.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 391' ' ' GLN . . . . . 0.496 ' O ' HG23 ' B' ' 394' ' ' THR . 1.6 mt-30 -52.18 -36.13 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 71.43 110.942 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -75.21 -35.91 61.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 54.25 110.885 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 393' ' ' HIS . . . . . 0.509 ' CG ' HD23 ' B' ' 352' ' ' LEU . 80.3 m80 -98.18 35.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 74.34 110.842 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.595 HG22 ' CZ ' ' A' ' 427' ' ' PHE . 7.5 p -63.17 -34.85 78.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 54.13 111.159 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.38 -49.45 72.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.885 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 55.3 ttp -55.43 -35.84 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.43 110.885 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.812 ' HA ' HD12 ' B' ' 400' ' ' LEU . 52.8 mt -65.77 -35.38 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.44 111.146 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 2.8 m -59.79 -42.37 93.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 55.43 111.181 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 96.6 m -61.59 -40.63 95.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 71.54 111.129 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.812 HD12 ' HA ' ' B' ' 397' ' ' ILE . 15.7 mt -53.03 -35.15 59.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.93 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -76.32 -28.49 56.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 60.31 110.91 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -75.55 -35.76 60.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.924 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.941 HG22 HD11 ' A' ' 365' ' ' ILE . 35.6 pt -72.97 -1.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 52.0 111.154 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -34.82 45.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.892 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.13 -18.26 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 65.42 110.869 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.513 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -41.13 119.87 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 70.24 110.922 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.7 134.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 62.2 110.875 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 8.6 p -61.27 135.74 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 71.22 111.146 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 29.9 t -72.19 174.02 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 64.22 110.852 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.94 -34.27 64.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 73.33 110.91 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 411' ' ' VAL . . . . . 0.428 HG13 HG13 ' B' ' 412' ' ' ILE . 5.3 p -53.31 -41.0 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 73.1 111.14 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.579 HD11 ' HB ' ' A' ' 370' ' ' VAL . 93.4 mt -73.75 -48.32 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 71.34 111.139 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 20.1 mtm -56.77 -33.25 66.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.902 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -72.75 -53.45 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -58.48 -40.04 81.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.854 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.2 p -54.98 -49.63 70.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 61.13 110.832 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 86.3 m -55.61 -40.39 72.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 52.43 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 11.6 ttp -56.7 -48.73 77.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.834 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.625 HD13 HD12 ' A' ' 380' ' ' LEU . 57.8 mt -72.57 -37.12 68.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 43.52 110.924 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -63.03 -41.82 99.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.05 110.898 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -45.34 58.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.53 110.887 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -53.4 -49.82 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.894 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -60.22 -42.2 94.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 54.34 110.932 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -56.49 -51.36 68.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 71.03 110.863 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -52.12 -35.76 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 62.42 110.872 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 34.5 mtm -73.79 -34.76 64.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.903 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 427' ' ' PHE . . . . . 0.607 ' CZ ' HG22 ' A' ' 394' ' ' THR . 17.2 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.915 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.863 0.363 . . . . 60.3 110.872 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -39.78 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 71.15 110.925 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.85 -35.72 64.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.807 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -37.74 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.825 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 351' ' ' ARG . . . . . 0.405 HH11 HD22 ' A' ' 383' ' ' LEU . 8.4 ptp180 -74.72 -33.93 62.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 74.54 110.929 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.672 ' HA ' HD12 ' A' ' 355' ' ' ILE . 1.5 mp -70.7 -47.8 57.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.52 110.884 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -56.76 -29.36 62.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.908 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -77.23 -39.65 47.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.874 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 352' ' ' LEU . 18.2 mt -62.22 -39.22 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.14 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -72.06 -41.56 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.44 110.856 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.02 79.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 63.02 111.085 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.13 -43.81 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 64.34 110.87 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.449 HG22 HD12 ' A' ' 363' ' ' LEU . 44.4 mt -64.62 -34.89 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 73.32 111.163 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -58.45 -47.28 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.875 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.75 -30.78 59.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 61.12 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 7.0 p -77.98 -3.08 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.51 110.857 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.449 HD12 HG22 ' A' ' 359' ' ' ILE . 50.4 mt -121.27 26.06 9.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 63.44 110.917 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 170.88 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.902 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 1.097 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.81 -41.11 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.13 111.125 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 366' ' ' ASP . . . . . 0.428 ' N ' HG23 ' A' ' 365' ' ' ILE . 21.7 t0 -91.97 -32.46 15.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.891 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.78 36.26 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 65.54 110.871 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.548 HD13 ' CD1' ' B' ' 406' ' ' PHE . 16.9 tp -53.52 107.79 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 61.41 110.895 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.99 68.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.846 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.621 ' HB ' HD11 ' B' ' 412' ' ' ILE . 9.8 m -52.15 -30.91 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.112 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -52.38 -41.44 63.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 71.21 110.822 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.6 -33.42 60.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.897 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 31.0 t -53.11 -47.24 68.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 70.04 110.952 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.45 -47.14 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 55.44 111.116 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.88 -35.08 43.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.855 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.461 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.37 -53.96 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 74.24 111.08 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.09 -39.28 63.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 72.3 110.916 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.22 -36.07 82.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 44.25 110.872 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.52 -45.68 68.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 34.12 110.892 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.653 HD12 HD13 ' B' ' 419' ' ' LEU . 3.2 tm? -57.32 -35.42 69.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.497 . . . . 52.31 110.893 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.536 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -70.32 -39.91 74.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 53.33 111.08 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -36.55 73.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.827 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.405 HD22 HH11 ' A' ' 351' ' ' ARG . 64.9 mt -59.31 136.88 58.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 63.21 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -89.11 66.49 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.02 110.874 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.34 142.89 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 44.12 111.092 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.2 t -112.59 171.49 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 72.12 111.161 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 2.8 ttt -55.97 -36.62 68.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 74.23 110.865 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -55.06 -59.3 4.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 70.25 110.898 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -67.44 -37.86 83.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.942 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.38 -45.21 88.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 73.34 111.089 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 391' ' ' GLN . . . . . 0.584 ' O ' HG23 ' A' ' 394' ' ' THR . 1.1 mt-30 -51.65 -36.09 44.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.93 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.1 -35.18 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.12 110.917 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.44 ' CG ' HD23 ' A' ' 352' ' ' LEU . 79.7 m80 -95.27 35.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 70.14 110.847 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 391' ' ' GLN . 8.5 p -59.03 -34.62 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 63.35 111.148 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -55.37 -48.77 73.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 65.31 110.87 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 58.4 ttp -55.41 -38.01 68.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.884 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.722 ' HA ' HD12 ' A' ' 400' ' ' LEU . 41.9 mt -68.15 -35.68 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 64.34 111.148 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 6.9 m -60.51 -43.6 96.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 71.25 111.119 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 63.1 m -62.4 -39.4 93.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 64.32 111.136 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.722 HD12 ' HA ' ' A' ' 397' ' ' ILE . 55.6 mt -51.91 -37.94 54.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.926 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.3 -28.96 57.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 75.05 110.886 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -75.0 -35.52 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 71.01 110.9 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.051 HG22 HD11 ' B' ' 365' ' ' ILE . 36.8 pt -73.57 -1.73 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.145 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -33.58 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 64.01 110.842 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.28 -20.27 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.885 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.555 ' HE2' HG13 ' B' ' 408' ' ' VAL . 0.8 OUTLIER -42.9 113.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.877 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -175.4 134.0 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 74.21 110.905 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.564 HG13 ' HE2' ' B' ' 406' ' ' PHE . 2.3 m -52.66 145.43 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 43.23 111.144 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 35.5 t -86.59 156.61 19.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.856 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -52.09 -36.07 49.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.892 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 411' ' ' VAL . . . . . 0.406 HG13 HG13 ' A' ' 412' ' ' ILE . 6.2 p -58.48 -40.0 77.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 73.11 111.112 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.657 HD11 ' HB ' ' B' ' 370' ' ' VAL . 81.9 mt -72.48 -49.87 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.141 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 8.5 mtt -60.77 -31.93 71.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 65.12 110.867 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -73.23 -52.92 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 73.25 110.932 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -58.89 -39.47 81.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.21 110.924 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 80.3 p -55.1 -50.95 67.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 71.33 110.806 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 40.3 m -52.72 -46.12 67.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 73.02 111.142 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 42.1 ttp -51.89 -52.19 51.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.867 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.705 HD13 HD12 ' B' ' 380' ' ' LEU . 40.1 mt -66.93 -43.38 83.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.2 110.92 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -53.19 -56.11 18.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.919 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -63.0 -35.66 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.897 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -53.29 -53.64 47.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 74.31 110.912 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.639 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 20.7 m-85 -75.47 -36.89 60.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 74.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -55.56 -41.82 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 63.42 110.9 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -34.82 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 44.24 110.881 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 28.8 mtm -76.31 -34.43 59.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.854 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.467 ' CZ ' HG22 ' B' ' 394' ' ' THR . 6.6 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 65.35 110.886 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.866 0.365 . . . . 65.44 110.812 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -38.07 61.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 74.02 110.875 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.49 -35.94 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.42 110.829 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -38.17 79.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 65.45 110.829 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.62 -35.78 62.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 64.45 110.831 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.719 ' HA ' HD12 ' B' ' 355' ' ' ILE . 10.3 mt -70.52 -47.89 58.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 63.21 110.939 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -56.99 -29.36 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.894 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -76.3 -39.36 54.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.877 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' B' ' 352' ' ' LEU . 13.8 mt -62.54 -40.09 86.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.43 111.131 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -69.27 -39.71 78.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.88 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.6 -42.24 71.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 75.04 111.094 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.72 -43.14 76.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 74.45 110.849 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.441 HG22 HD12 ' B' ' 363' ' ' LEU . 44.3 mt -64.71 -35.19 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 62.43 111.086 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -58.34 -46.97 85.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.859 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.65 -30.98 59.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 75.2 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.0 p -78.07 -3.04 40.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.836 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.441 HD12 HG22 ' B' ' 359' ' ' ILE . 50.6 mt -121.39 26.05 9.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 45.15 110.937 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 171.23 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.881 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.051 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.94 -40.74 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 74.33 111.134 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.425 ' N ' HG23 ' B' ' 365' ' ' ILE . 21.8 t0 -92.57 -32.28 14.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.871 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.8 36.36 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 65.1 110.87 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 406' ' ' PHE . 18.0 tp -53.68 107.71 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.919 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.43 68.94 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.844 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.657 ' HB ' HD11 ' A' ' 412' ' ' ILE . 10.2 m -51.91 -30.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 64.02 111.127 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -52.23 -41.19 62.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 73.44 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -75.8 -33.2 60.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 64.21 110.838 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 31.3 t -53.25 -47.94 68.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 61.02 110.889 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -64.54 -46.35 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 64.33 111.13 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.94 -35.83 47.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 75.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.614 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.01 -53.87 7.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.15 111.096 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 13.1 mt -52.37 -36.6 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.871 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.44 -36.12 82.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 54.03 110.86 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -49.89 57.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 62.51 110.92 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.705 HD12 HD13 ' A' ' 419' ' ' LEU . 3.1 tm? -54.26 -35.96 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 72.31 110.959 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 381' ' ' ALA . . . . . 0.511 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -69.93 -42.8 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.22 111.081 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -36.26 77.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 63.33 110.826 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 65.2 mt -59.84 136.91 58.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 71.02 110.895 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -88.74 66.36 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 65.43 110.914 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.15 142.28 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 70.11 111.123 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -112.31 171.29 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 45.24 111.163 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 2.8 ttt -55.42 -37.12 67.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 75.31 110.839 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.72 -59.17 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 74.44 110.898 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -67.68 -37.59 82.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.94 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.04 88.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 62.03 111.086 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 391' ' ' GLN . . . . . 0.593 ' O ' HG23 ' B' ' 394' ' ' THR . 1.2 mt-30 -52.19 -35.95 50.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.889 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -35.52 45.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 54.25 110.895 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -95.23 35.52 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.863 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 391' ' ' GLN . 7.1 p -58.58 -34.89 71.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 54.13 111.12 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -55.35 -49.25 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.886 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.9 ttp -55.7 -35.79 66.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.903 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.727 ' HA ' HD12 ' B' ' 400' ' ' LEU . 22.9 mt -69.08 -36.45 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 71.44 111.123 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 7.3 m -61.51 -43.13 99.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 55.43 111.115 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 62.1 m -61.28 -41.13 96.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 71.54 111.146 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' B' ' 397' ' ' ILE . 25.8 mt -52.67 -36.14 56.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.891 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.68 -28.84 56.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 60.31 110.869 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -75.89 -35.29 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 72.14 110.928 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 1.097 HG22 HD11 ' A' ' 365' ' ' ILE . 40.3 pt -73.12 -1.76 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 52.0 111.152 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -33.82 44.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 71.35 110.884 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.69 -20.26 7.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 65.42 110.844 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.564 ' HE2' HG13 ' A' ' 408' ' ' VAL . 0.8 OUTLIER -42.65 113.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 70.24 110.885 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -175.67 134.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 62.2 110.922 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.555 HG13 ' HE2' ' A' ' 406' ' ' PHE . 2.3 m -52.63 144.74 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 71.22 111.101 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 35.9 t -85.81 156.66 20.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 64.22 110.802 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -51.98 -36.15 48.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 73.33 110.87 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 411' ' ' VAL . . . . . 0.405 HG13 HG13 ' B' ' 412' ' ' ILE . 6.1 p -58.29 -40.18 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 73.1 111.144 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.621 HD11 ' HB ' ' A' ' 370' ' ' VAL . 81.9 mt -72.08 -50.09 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 71.34 111.144 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 8.6 mtt -60.47 -32.43 71.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.871 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -72.82 -52.76 13.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.902 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -58.73 -39.89 82.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.911 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.0 p -55.13 -50.47 69.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 61.13 110.834 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 36.2 m -52.87 -46.66 68.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 52.43 111.157 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 42.2 ttp -51.81 -52.18 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.891 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.653 HD13 HD12 ' A' ' 380' ' ' LEU . 41.0 mt -66.65 -43.85 83.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 43.52 110.938 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -51.58 -57.84 7.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 75.05 110.958 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -60.53 -34.88 74.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 72.53 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -53.28 -53.71 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.45 110.925 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.578 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 82.2 m-85 -74.02 -40.53 62.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 54.34 110.907 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -53.6 -44.02 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 71.03 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -35.93 79.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 62.42 110.868 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 29.0 mtm -76.56 -34.35 58.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 427' ' ' PHE . . . . . 0.476 ' CZ ' HG22 ' A' ' 394' ' ' THR . 6.8 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.888 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.881 0.372 . . . . 60.3 110.822 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.5 tpt -61.4 -40.98 96.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 71.15 110.866 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -35.69 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 75.24 110.862 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -38.79 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.886 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -74.65 -34.17 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.863 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 355' ' ' ILE . 11.6 mt -71.51 -47.42 55.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 73.52 110.91 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.05 -28.3 62.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 72.33 110.933 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -74.66 -35.56 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 75.43 110.875 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 352' ' ' LEU . 32.8 mt -63.26 -41.09 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.164 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -71.85 -40.91 68.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 71.44 110.889 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.93 -44.96 75.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 63.02 111.099 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -55.12 -48.19 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 64.34 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.524 HG22 HD12 ' A' ' 363' ' ' LEU . 43.3 mt -61.68 -35.19 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.11 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -59.35 -46.19 89.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.907 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -75.8 -30.4 59.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 61.12 110.922 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -80.15 -1.16 39.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 73.51 110.867 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.524 HD12 HG22 ' A' ' 359' ' ' ILE . 38.4 mt -121.84 26.16 8.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 63.44 110.929 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.54 170.09 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.89 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 1.086 HD11 HG22 ' B' ' 403' ' ' ILE . 6.0 tp -84.71 -39.74 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 75.13 111.141 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 366' ' ' ASP . . . . . 0.407 ' N ' HG23 ' A' ' 365' ' ' ILE . 2.8 p30 -91.75 -32.28 15.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 72.25 110.876 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -111.84 36.64 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 65.54 110.872 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.601 HD13 ' CE1' ' B' ' 406' ' ' PHE . 17.2 tp -53.24 107.92 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 61.41 110.892 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -123.98 69.29 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.15 110.897 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.654 ' HB ' HD11 ' B' ' 412' ' ' ILE . 7.5 m -52.28 -29.1 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 73.32 111.105 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -52.03 -43.12 63.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.89 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -75.02 -33.69 61.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.838 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 37.4 t -53.33 -42.04 66.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.888 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -70.3 -47.61 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 55.44 111.133 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -51.63 -35.36 41.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.866 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.499 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -74.83 -52.39 11.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.098 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 10.5 mt -52.08 -36.07 49.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.969 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.6 -42.32 91.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 44.25 110.837 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -45.94 90.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 34.12 110.906 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.848 HD21 ' HE3' ' A' ' 396' ' ' MET . 0.2 OUTLIER -52.34 -52.48 53.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 52.31 110.922 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.49 -30.67 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 53.33 111.103 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.53 -35.22 60.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.862 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.21 108.64 4.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 63.21 110.925 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.54 59.93 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.876 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 385' ' ' VAL . . . . . 0.409 HG23 ' CB ' ' A' ' 389' ' ' GLN . 5.8 p -67.2 137.57 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 44.12 111.166 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -92.19 171.64 8.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.12 111.115 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -38.35 63.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.83 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -52.09 -58.3 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 70.25 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 389' ' ' GLN . . . . . 0.409 ' CB ' HG23 ' A' ' 385' ' ' VAL . 2.4 mp0 -71.29 -35.76 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.912 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.39 -51.25 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.121 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -51.92 -38.49 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -71.72 -34.77 69.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.893 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -95.2 35.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 70.14 110.803 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.718 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.0 OUTLIER -61.34 -38.11 85.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 63.35 111.116 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.48 -43.68 75.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 65.31 110.862 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.848 ' HE3' HD21 ' A' ' 380' ' ' LEU . 29.8 ttp -57.35 -48.61 78.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.864 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.802 ' HA ' HD12 ' A' ' 400' ' ' LEU . 5.2 mt -57.43 -38.08 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 64.34 111.15 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -41.63 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 71.25 111.18 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.8 m -63.94 -37.47 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 64.32 111.116 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' ' 397' ' ' ILE . 27.0 mt -57.18 -35.58 69.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 73.43 110.922 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -77.17 -28.97 54.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 75.05 110.912 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -75.94 -34.22 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 71.01 110.882 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.033 HG22 HD11 ' B' ' 365' ' ' ILE . 41.1 pt -74.19 -1.7 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 75.44 111.141 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -34.02 37.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.875 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.19 -20.22 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.874 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.559 ' CE1' HG13 ' B' ' 408' ' ' VAL . 0.7 OUTLIER -42.04 114.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.906 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.405 ' HG3' ' HG3' ' B' ' 407' ' ' LYS . 0.0 OUTLIER -176.68 130.01 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.952 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.551 HG13 ' HE2' ' B' ' 406' ' ' PHE . 2.9 m -54.49 141.84 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 43.23 111.079 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 41.2 t -80.57 159.35 25.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.89 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.15 -35.62 67.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.5 p -56.24 -40.07 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 73.11 111.141 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.679 HD11 ' HB ' ' B' ' 370' ' ' VAL . 83.5 mt -72.54 -50.5 34.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.31 111.107 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.6 mtm -59.34 -32.69 70.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 65.12 110.857 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.04 -52.94 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 73.25 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -58.78 -39.81 82.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 75.21 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 80.9 p -55.07 -50.96 67.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.839 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 51.7 m -53.7 -43.81 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 73.02 111.12 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.6 ttp -53.61 -50.51 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.883 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' B' ' 381' ' ' ALA . 35.2 mt -69.93 -40.17 75.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 71.2 110.891 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -53.12 -51.24 62.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.941 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.455 ' HA ' ' HZ3' ' A' ' 424' ' ' LYS . 19.7 m-80 -70.06 -35.85 74.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 73.14 110.941 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -53.95 -53.36 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.924 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -67.71 -37.07 81.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 424' ' ' LYS . . . . . 0.455 ' HZ3' ' HA ' ' A' ' 421' ' ' ASN . 0.1 OUTLIER -56.42 -45.63 80.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 63.42 110.894 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -51.86 -36.91 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 44.24 110.889 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 33.4 mtm -79.11 -35.22 42.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.923 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 65.35 110.888 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.87 0.367 . . . . 65.44 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.5 tpt -59.97 -40.64 89.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 74.02 110.863 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.21 -36.18 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.867 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -39.55 74.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 65.45 110.886 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -74.58 -34.43 62.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 64.45 110.829 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.776 ' HA ' HD12 ' B' ' 355' ' ' ILE . 12.3 mt -71.47 -47.79 53.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 63.21 110.919 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -57.96 -29.94 65.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 64.41 110.899 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -72.18 -35.91 69.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.869 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.776 HD12 ' HA ' ' B' ' 352' ' ' LEU . 21.3 mt -63.54 -41.37 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.43 111.121 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -70.45 -40.67 73.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 74.23 110.878 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.37 73.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 75.04 111.113 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -55.24 -47.25 75.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.471 HG22 HD12 ' B' ' 363' ' ' LEU . 41.7 mt -61.97 -35.53 68.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 62.43 111.118 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -58.52 -46.42 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.3 110.913 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.62 -30.77 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.2 110.875 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -78.92 -2.75 41.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.867 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.471 HD12 HG22 ' B' ' 359' ' ' ILE . 47.8 mt -121.52 26.21 8.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 45.15 110.88 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -70.98 170.97 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.894 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.033 HD11 HG22 ' A' ' 403' ' ' ILE . 5.4 tp -84.4 -41.53 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.33 111.115 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.425 ' N ' HG23 ' B' ' 365' ' ' ILE . 2.8 p30 -91.56 -31.54 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 64.14 110.884 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.61 36.14 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 65.1 110.872 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 18.9 tp -53.6 107.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.928 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -125.51 69.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 74.12 110.819 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.679 ' HB ' HD11 ' A' ' 412' ' ' ILE . 7.8 m -52.64 -28.59 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 64.02 111.116 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -51.91 -43.01 63.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -75.16 -33.31 61.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 64.21 110.892 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 37.2 t -53.18 -43.48 67.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 61.02 110.87 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -68.81 -46.68 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 64.33 111.096 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -51.81 -35.78 45.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.584 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -74.65 -51.84 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.15 111.123 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 377' ' ' LEU . . . . . 0.458 HD23 HD12 ' A' ' 419' ' ' LEU . 10.4 mt -52.13 -36.12 50.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.892 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.97 -41.27 91.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 54.03 110.872 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -46.79 86.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 62.51 110.88 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.843 HD21 ' HE3' ' B' ' 396' ' ' MET . 0.2 OUTLIER -52.47 -52.76 52.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.899 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 381' ' ' ALA . . . . . 0.57 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -55.35 -30.71 60.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 71.22 111.114 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -35.1 60.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 63.33 110.829 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.98 109.07 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 71.02 110.915 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.61 60.07 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 65.43 110.915 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 385' ' ' VAL . . . . . 0.402 HG23 ' CB ' ' B' ' 389' ' ' GLN . 5.9 p -67.13 137.48 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 70.11 111.134 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -91.99 171.84 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 45.24 111.115 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -38.36 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.31 110.877 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -51.96 -58.12 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 74.44 110.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 389' ' ' GLN . . . . . 0.402 ' CB ' HG23 ' B' ' 385' ' ' VAL . 2.4 mp0 -71.41 -36.07 71.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.877 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.08 -51.28 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 62.03 111.079 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -52.28 -36.66 53.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 71.43 110.908 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -72.67 -35.28 67.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 54.25 110.9 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -95.34 35.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.709 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.0 OUTLIER -60.83 -38.49 85.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 54.13 111.149 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.38 -42.28 73.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.34 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 396' ' ' MET . . . . . 0.843 ' HE3' HD21 ' B' ' 380' ' ' LEU . 28.3 ttp -58.31 -49.66 76.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.43 110.834 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.792 ' HA ' HD12 ' B' ' 400' ' ' LEU . 5.2 mt -56.7 -38.05 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 71.44 111.122 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -40.32 85.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 55.43 111.143 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -65.6 -35.86 82.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 71.54 111.162 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' B' ' 397' ' ' ILE . 28.4 mt -58.42 -36.13 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.892 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -28.86 56.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 60.31 110.879 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -74.91 -35.25 62.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.869 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 1.086 HG22 HD11 ' A' ' 365' ' ' ILE . 34.7 pt -73.77 -1.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 52.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -34.76 50.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 71.35 110.876 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.96 -19.03 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 65.42 110.894 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.601 ' CE1' HD13 ' A' ' 368' ' ' LEU . 1.7 t80 -42.71 114.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 70.24 110.86 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 407' ' ' LYS . . . . . 0.405 ' HG3' ' HG3' ' A' ' 407' ' ' LYS . 0.0 OUTLIER -178.28 134.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 62.2 110.881 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.559 HG13 ' CE1' ' A' ' 406' ' ' PHE . 2.1 m -51.21 155.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 71.22 111.162 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.3 t -96.65 156.14 16.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.892 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -51.6 -35.41 41.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.934 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -59.58 -39.81 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.128 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.654 HD11 ' HB ' ' A' ' 370' ' ' VAL . 82.6 mt -72.38 -52.17 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 71.34 111.125 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.5 mtm -58.8 -31.16 68.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.837 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.17 -53.36 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.913 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -58.57 -39.11 79.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.32 110.856 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.4 p -55.09 -51.99 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 61.13 110.825 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 44.9 m -52.6 -44.63 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 52.43 111.114 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.6 ttp -53.23 -50.33 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.852 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.49 HD12 HD12 ' A' ' 380' ' ' LEU . 4.3 mm? -69.05 -42.47 76.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 43.52 110.924 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -51.81 -52.0 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.947 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -68.63 -36.01 78.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.913 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -54.38 -53.49 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 71.45 110.86 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -67.56 -36.24 80.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 54.34 110.847 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -45.52 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 71.03 110.89 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -51.85 -36.71 49.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 62.42 110.837 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 33.6 mtm -79.45 -35.2 40.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.889 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 71.21 110.841 -179.891 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.846 0.355 . . . . 60.3 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -38.62 62.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 71.15 110.842 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.74 -36.09 65.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.41 . . . . 75.24 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 31.4 t -69.21 -38.68 78.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.85 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 351' ' ' ARG . . . . . 0.429 HH11 HD22 ' A' ' 383' ' ' LEU . 10.5 ptp180 -74.69 -34.13 62.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 74.54 110.848 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.67 ' HA ' HD12 ' A' ' 355' ' ' ILE . 14.2 mt -71.1 -47.24 59.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.936 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.19 -28.49 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.935 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -76.9 -36.81 56.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.847 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 352' ' ' LEU . 21.7 mt -65.29 -40.3 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 73.14 111.119 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -71.78 -38.33 70.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.44 110.87 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.39 64.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 63.02 111.081 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -54.62 -38.28 66.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 64.34 110.905 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.502 HG22 HD12 ' A' ' 363' ' ' LEU . 33.5 mt -75.14 -31.13 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.14 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -61.09 -52.84 63.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 71.35 110.896 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -72.93 -34.19 66.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 61.12 110.869 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.9 m -71.49 -10.66 60.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.827 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.502 HD12 HG22 ' A' ' 359' ' ' ILE . 31.5 mt -110.83 26.18 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 63.44 110.884 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.33 171.63 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.886 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 0.953 HD11 HG22 ' B' ' 403' ' ' ILE . 5.4 tp -84.51 -38.54 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 75.13 111.116 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -92.72 -32.62 14.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 72.25 110.853 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -106.24 36.05 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 65.54 110.894 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.482 HD13 ' CD1' ' B' ' 406' ' ' PHE . 18.3 tp -53.96 107.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 61.41 110.887 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.98 79.59 1.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.832 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.61 ' HB ' HD11 ' B' ' 412' ' ' ILE . 9.1 m -60.8 -27.49 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.32 111.149 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -51.87 -40.17 60.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.21 110.846 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -75.91 -34.86 59.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.907 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 25.5 t -53.23 -56.11 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 70.04 110.879 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.6 -49.78 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 55.44 111.144 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.72 -34.91 41.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 74.11 110.869 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.412 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.43 -51.68 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.24 111.138 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.517 HD11 HG23 ' B' ' 412' ' ' ILE . 8.8 mt -52.28 -41.36 62.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.873 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.89 -49.1 79.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 44.25 110.832 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -46.3 79.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 34.12 110.917 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.66 HD21 ' HE3' ' A' ' 396' ' ' MET . 0.9 OUTLIER -52.36 -54.26 34.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 52.31 110.912 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.485 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -57.17 -33.99 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 53.33 111.088 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.1 m -71.51 -36.87 71.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.863 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.429 HD22 HH11 ' A' ' 351' ' ' ARG . 60.9 mt -69.09 117.53 10.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 63.21 110.898 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.17 71.22 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.914 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -82.52 144.02 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 44.12 111.135 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -100.0 173.94 6.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 72.12 111.155 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 1.9 ttt -57.55 -39.39 76.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.23 110.915 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -52.0 -59.16 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 70.25 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -63.9 -35.68 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 70.44 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.29 92.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 73.34 111.065 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.67 -36.06 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.959 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -77.57 -34.35 53.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.91 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.415 ' CE1' HD12 ' A' ' 352' ' ' LEU . 79.7 m80 -95.12 35.66 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 70.14 110.866 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.689 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.8 OUTLIER -59.16 -35.32 73.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 63.35 111.176 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.99 -41.88 98.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.863 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.66 ' HE3' HD21 ' A' ' 380' ' ' LEU . 36.7 ttp -55.25 -37.32 67.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.856 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 394' ' ' THR . 4.4 mt -69.95 -44.1 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 64.34 111.149 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 95.6 m -54.09 -35.44 62.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.25 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.2 m -71.85 -38.56 70.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 64.32 111.118 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 397' ' ' ILE . 31.8 mt -57.92 -36.18 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 73.43 110.936 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.49 -28.82 56.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 75.05 110.892 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -75.13 -35.15 61.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.01 110.897 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 0.975 HG22 HD11 ' B' ' 365' ' ' ILE . 35.6 pt -73.71 -2.03 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 75.44 111.142 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -33.85 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 64.01 110.912 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 405' ' ' ARG . . . . . 0.444 HH21 HD23 ' B' ' 368' ' ' LEU . 0.0 OUTLIER -120.11 -19.53 7.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.893 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.499 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -40.1 120.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 75.04 110.884 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.4 135.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.878 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 408' ' ' VAL . 7.5 p -63.43 126.33 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 43.23 111.148 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 1.5 m -61.57 170.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.848 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -72.83 -33.88 66.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 74.23 110.906 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.2 p -53.02 -41.03 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 73.11 111.143 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.653 HD11 ' HB ' ' B' ' 370' ' ' VAL . 61.1 mt -73.82 -47.41 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.31 111.113 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 34.3 mtm -58.56 -34.66 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 65.12 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -42.5 58.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.903 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -68.35 -35.57 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.897 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 84.0 p -58.39 -49.66 76.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 71.33 110.923 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 95.0 m -53.67 -44.33 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 73.02 111.149 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.2 tpt -51.3 -49.31 61.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 71.21 110.893 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.462 HD22 HD12 ' B' ' 380' ' ' LEU . 56.1 mt -73.41 -38.48 65.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 71.2 110.951 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -53.76 -60.03 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.923 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -59.63 -34.73 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.838 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -53.22 -53.61 48.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.905 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.594 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 84.6 m-85 -73.88 -37.16 64.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 74.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -57.73 -44.0 85.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 63.42 110.898 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.16 -37.02 76.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 44.24 110.923 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 16.4 mtm -78.59 -34.82 46.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.872 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.516 ' HE2' HG22 ' B' ' 394' ' ' THR . 3.8 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.863 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.828 0.347 . . . . 65.44 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -38.49 66.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.02 110.882 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.29 -38.27 65.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 75.42 110.848 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 32.3 t -66.82 -39.24 87.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 65.45 110.847 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -74.36 -34.49 63.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 64.45 110.841 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.723 ' HA ' HD12 ' B' ' 355' ' ' ILE . 20.4 mt -71.44 -47.79 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 63.21 110.897 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -57.98 -29.72 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 64.41 110.919 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -74.71 -37.54 62.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 71.42 110.833 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' B' ' 352' ' ' LEU . 14.2 mt -65.2 -39.15 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.43 111.111 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -70.82 -39.7 72.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.23 110.879 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.09 -41.48 67.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 75.04 111.056 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.25 -40.72 71.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.874 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.433 HG22 HD12 ' B' ' 363' ' ' LEU . 46.7 mt -73.54 -34.64 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 62.43 111.104 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -58.24 -52.16 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.886 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -74.04 -31.4 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 75.2 110.878 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 40.0 m -73.55 -13.64 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.847 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.433 HD12 HG22 ' B' ' 359' ' ' ILE . 40.0 mt -107.65 26.62 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 45.15 110.927 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 170.64 7.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.915 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 0.975 HD11 HG22 ' A' ' 403' ' ' ILE . 5.0 tp -84.5 -38.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.33 111.155 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -92.03 -33.65 14.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 64.14 110.893 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -106.11 36.47 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 65.1 110.898 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.444 HD23 HH21 ' A' ' 405' ' ' ARG . 18.2 tp -53.79 107.29 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.949 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.12 80.06 1.89 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.85 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.653 ' HB ' HD11 ' A' ' 412' ' ' ILE . 12.0 m -60.16 -27.17 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 64.02 111.175 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -51.64 -39.69 58.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.886 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -75.94 -35.2 59.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 64.21 110.823 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.47 -56.59 15.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 61.02 110.839 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.407 HD12 ' O ' ' B' ' 370' ' ' VAL . 3.2 mt -53.51 -49.13 56.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 64.33 111.124 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.65 -35.15 41.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 75.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.595 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.26 -50.98 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 73.15 111.106 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 377' ' ' LEU . . . . . 0.451 HD11 HG23 ' A' ' 412' ' ' ILE . 10.3 mt -52.1 -38.99 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 72.3 110.894 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.85 -47.53 84.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 54.03 110.84 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -47.38 78.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 62.51 110.884 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.594 HD11 ' HZ ' ' A' ' 423' ' ' PHE . 1.1 tm? -52.45 -54.71 28.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 72.31 110.949 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 381' ' ' ALA . . . . . 0.435 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -56.29 -34.62 66.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.153 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.1 m -72.47 -36.08 68.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 63.33 110.839 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.03 118.03 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 71.02 110.893 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.66 71.38 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 65.43 110.911 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -82.5 144.14 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 70.11 111.11 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -99.58 173.91 6.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 45.24 111.128 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 1.8 ttt -58.03 -39.71 79.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.915 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -51.97 -59.2 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.917 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -63.46 -35.7 81.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.895 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.36 -42.98 92.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 62.03 111.106 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -51.66 -35.66 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 71.43 110.91 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -77.62 -34.91 53.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 54.25 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -95.17 35.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 74.34 110.878 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.688 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.8 OUTLIER -59.16 -35.28 73.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 54.13 111.143 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.81 -41.37 97.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.916 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 396' ' ' MET . . . . . 0.434 ' HB3' ' HE2' ' B' ' 396' ' ' MET . 34.7 ttp -55.37 -37.81 68.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 75.43 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' B' ' 394' ' ' THR . 4.3 mt -69.97 -42.58 79.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 71.44 111.16 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 95.9 m -54.12 -35.76 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 55.43 111.144 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 90.5 m -72.37 -40.27 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 71.54 111.167 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' B' ' 397' ' ' ILE . 46.3 mt -54.62 -37.69 65.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.927 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.03 -28.92 57.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 60.31 110.909 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -74.63 -35.93 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 72.14 110.881 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.953 HG22 HD11 ' A' ' 365' ' ' ILE . 34.8 pt -73.42 -1.69 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 52.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -34.19 45.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 71.35 110.875 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.07 -20.15 6.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 65.42 110.836 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.5 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.08 120.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 70.24 110.857 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -176.61 134.09 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 62.2 110.895 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.27 126.85 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 71.22 111.103 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 1.9 m -62.49 171.15 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.883 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -73.14 -33.2 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.919 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.83 -42.18 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.1 111.108 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.61 HD11 ' HB ' ' A' ' 370' ' ' VAL . 40.9 mt -73.75 -45.63 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.34 111.092 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 34.0 mtm -59.11 -34.4 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.879 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -42.29 54.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.868 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -68.11 -35.21 77.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.918 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.9 p -58.59 -50.77 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 61.13 110.825 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 94.6 m -52.73 -44.36 66.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 52.43 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -51.49 -48.6 62.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.877 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 381' ' ' ALA . 54.5 mt -74.29 -36.57 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 43.52 110.857 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -56.94 -58.0 10.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 75.05 110.913 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -62.32 -35.33 78.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.53 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -53.2 -53.31 52.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.912 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.523 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 21.8 m-85 -75.38 -35.85 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 54.34 110.89 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -57.48 -43.85 84.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.856 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.39 -35.79 74.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 62.42 110.874 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 16.4 mtm -77.85 -35.2 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.904 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 427' ' ' PHE . . . . . 0.526 ' HE2' HG22 ' A' ' 394' ' ' THR . 3.6 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 71.21 110.916 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.903 0.382 . . . . 60.3 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.7 tpt -54.09 -41.22 68.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 71.15 110.87 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.04 -35.42 66.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.865 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 48.4 t -68.91 -39.21 79.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.854 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.77 -33.52 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.846 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.736 ' HA ' HD12 ' A' ' 355' ' ' ILE . 12.2 mt -71.37 -47.33 56.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.52 110.914 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.82 -27.64 60.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.959 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -76.77 -37.87 55.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.818 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 352' ' ' LEU . 30.9 mt -61.1 -42.98 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 73.14 111.128 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -72.11 -35.97 69.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.89 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.76 -48.31 64.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 63.02 111.109 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.06 -46.71 75.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 64.34 110.894 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.57 HG22 HD12 ' A' ' 363' ' ' LEU . 43.2 mt -62.02 -35.04 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.136 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -63.35 -46.1 88.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.889 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -75.7 -31.32 59.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 61.12 110.907 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 15.8 p -80.43 -1.11 40.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 73.51 110.883 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.57 HD12 HG22 ' A' ' 359' ' ' ILE . 31.0 mt -120.02 26.51 9.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 63.44 110.903 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -71.56 170.55 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.13 110.905 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 0.987 HD11 HG22 ' B' ' 403' ' ' ILE . 6.1 tp -83.65 -37.5 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 75.13 111.139 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -93.65 -29.87 15.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 72.25 110.858 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -110.9 36.7 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 65.54 110.922 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.487 HD13 ' CD1' ' B' ' 406' ' ' PHE . 20.5 tp -52.98 107.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 61.41 110.927 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.85 80.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.857 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' B' ' 412' ' ' ILE . 9.7 m -61.24 -27.1 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.121 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -51.82 -39.37 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.21 110.888 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -75.73 -35.27 60.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.925 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.472 ' SG ' HG23 ' A' ' 359' ' ' ILE . 12.2 t -53.89 -57.18 11.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 70.04 110.847 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.44 -50.44 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 55.44 111.142 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.63 -34.06 36.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.476 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.84 -51.26 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.24 111.109 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.46 HD11 HG23 ' B' ' 412' ' ' ILE . 11.4 mt -52.09 -40.19 60.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.929 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -49.06 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 44.25 110.884 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -46.02 85.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 34.12 110.901 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' B' ' 423' ' ' PHE . 1.2 tm? -52.32 -54.21 34.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 52.31 110.91 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.506 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -58.27 -34.49 70.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 53.33 111.11 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -36.44 70.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.853 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.06 117.15 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 63.21 110.909 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -79.03 64.32 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.929 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.89 141.24 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 44.12 111.135 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.0 t -100.96 171.32 7.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 72.12 111.153 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -38.14 64.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.879 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -52.21 -59.07 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 70.25 110.886 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -66.51 -35.87 81.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 70.44 110.918 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.22 82.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.34 111.144 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 391' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 394' ' ' THR . 1.3 mm100 -51.85 -37.65 52.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 75.25 110.89 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 2.4 mmpp? -75.22 -35.2 61.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -95.33 35.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 70.14 110.83 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.73 ' HA ' HD12 ' A' ' 397' ' ' ILE . 1.4 p -59.03 -36.11 74.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 63.35 111.159 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.08 -45.39 93.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 65.31 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.422 ' HE1' HD21 ' A' ' 380' ' ' LEU . 1.4 tmm? -55.38 -37.21 67.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.872 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.796 ' HA ' HD12 ' A' ' 400' ' ' LEU . 5.8 mt -70.07 -39.11 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 64.34 111.13 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 9.1 m -59.43 -40.14 85.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 71.25 111.125 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.0 m -65.39 -35.61 81.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 64.32 111.121 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' ' 397' ' ' ILE . 29.9 mt -58.7 -35.88 73.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.902 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -76.2 -28.65 57.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 75.05 110.898 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -75.2 -35.15 61.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 71.01 110.922 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.048 HG22 HD11 ' B' ' 365' ' ' ILE . 35.1 pt -73.93 -2.02 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.44 111.144 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -79.47 -33.5 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 64.01 110.896 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 405' ' ' ARG . . . . . 0.401 HH21 HD23 ' B' ' 368' ' ' LEU . 0.0 OUTLIER -120.62 -18.87 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 75.44 110.84 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.501 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -40.64 121.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 75.04 110.871 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -177.56 134.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.914 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.19 131.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 43.23 111.092 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 32.1 t -67.31 168.06 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.889 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -70.18 -34.49 73.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 411' ' ' VAL . . . . . 0.412 HG13 HG13 ' A' ' 412' ' ' ILE . 5.3 p -53.44 -40.47 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.11 111.135 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.636 HD11 ' HB ' ' B' ' 370' ' ' VAL . 94.9 mt -73.71 -47.04 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 74.31 111.167 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 34.1 mtm -59.4 -34.53 72.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 65.12 110.908 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.69 -44.38 56.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.875 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -67.4 -37.7 83.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.852 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 86.1 p -56.39 -47.59 78.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 71.33 110.797 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 417' ' ' THR . . . . . 0.509 HG22 ' ND2' ' A' ' 421' ' ' ASN . 95.4 m -55.36 -46.52 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 73.02 111.158 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -49.06 -47.92 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 71.21 110.903 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' B' ' 381' ' ' ALA . 45.7 mt -75.57 -34.69 60.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.884 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -56.34 -63.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.911 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.509 ' ND2' HG22 ' A' ' 417' ' ' THR . 10.2 p30 -63.9 -32.09 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.898 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -52.57 -53.64 43.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.91 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.587 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 19.9 m-85 -75.67 -35.99 60.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 74.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -57.91 -39.36 77.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 63.42 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -61.45 -34.88 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 44.24 110.926 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 12.4 mtm -75.56 -35.35 60.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.852 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' B' ' 397' ' ' ILE . 41.1 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 65.35 110.851 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 11.6 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.907 0.384 . . . . 65.44 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.9 tpt -53.17 -39.86 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.02 110.826 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.1 -37.05 66.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 75.42 110.897 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.4 t -67.87 -39.17 83.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 65.45 110.822 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -74.52 -34.18 62.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 64.45 110.855 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.809 ' HA ' HD12 ' B' ' 355' ' ' ILE . 12.1 mt -71.39 -47.73 54.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 63.21 110.903 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -57.22 -29.17 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 64.41 110.908 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -74.56 -38.62 62.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.42 110.841 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' B' ' 352' ' ' LEU . 17.7 mt -61.11 -42.74 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.43 111.107 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -70.56 -36.12 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.89 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.98 65.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 75.04 111.116 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.25 -47.95 74.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.881 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.567 HG22 HD12 ' B' ' 363' ' ' LEU . 48.3 mt -61.28 -35.29 65.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 62.43 111.109 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -62.67 -46.52 87.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.887 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -75.84 -31.37 59.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.855 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 13.1 p -79.51 -2.21 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.822 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.567 HD12 HG22 ' B' ' 359' ' ' ILE . 34.4 mt -119.09 26.47 9.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 45.15 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.56 170.66 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.869 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.048 HD11 HG22 ' A' ' 403' ' ' ILE . 5.5 tp -84.25 -36.92 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.33 111.142 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -93.79 -31.02 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 64.14 110.874 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -110.14 36.82 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 65.1 110.876 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.433 HD13 ' CD2' ' A' ' 406' ' ' PHE . 20.5 tp -52.66 107.43 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.926 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.07 81.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.889 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' A' ' 412' ' ' ILE . 10.9 m -61.98 -26.55 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 64.02 111.162 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -51.79 -39.21 58.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 73.44 110.898 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -75.88 -35.35 59.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 64.21 110.865 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.474 ' SG ' HG23 ' B' ' 359' ' ' ILE . 14.5 t -53.7 -57.05 12.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 61.02 110.872 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.53 -49.58 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 64.33 111.158 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.48 -35.19 38.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.608 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.3 -50.62 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 73.15 111.098 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 377' ' ' LEU . . . . . 0.426 HD11 HG23 ' A' ' 412' ' ' ILE . 11.5 mt -52.16 -40.82 61.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 72.3 110.917 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -49.18 78.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 54.03 110.857 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -45.64 85.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 62.51 110.881 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.587 HD11 ' CZ ' ' A' ' 423' ' ' PHE . 1.4 tm? -52.64 -54.38 34.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.932 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 381' ' ' ALA . . . . . 0.488 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -58.02 -34.9 70.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.1 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -37.21 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 63.33 110.903 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 49.1 mt -65.81 118.21 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 71.02 110.918 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -80.48 63.57 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 65.43 110.908 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.9 p -76.44 140.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 70.11 111.109 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.4 t -100.36 171.67 7.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 45.24 111.118 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -38.03 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.871 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -52.17 -58.87 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -66.54 -35.96 81.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 74.12 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.7 -46.47 81.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 62.03 111.077 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 391' ' ' GLN . . . . . 0.504 ' O ' HG23 ' B' ' 394' ' ' THR . 1.3 mm100 -51.97 -36.15 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 71.43 110.959 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 2.5 mmpp? -75.44 -35.54 60.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 54.25 110.845 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -95.22 35.61 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.838 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.732 ' HA ' HD12 ' B' ' 397' ' ' ILE . 1.4 p -57.7 -35.65 70.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 54.13 111.145 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.76 -44.35 97.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.872 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 396' ' ' MET . . . . . 0.463 ' HE1' HD21 ' B' ' 380' ' ' LEU . 1.5 tmm? -55.38 -37.66 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.88 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.808 ' HA ' HD12 ' B' ' 400' ' ' LEU . 5.6 mt -68.62 -42.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 71.44 111.153 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 8.5 m -58.65 -39.31 80.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 55.43 111.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 96.2 m -65.23 -34.93 79.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 71.54 111.11 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.808 HD12 ' HA ' ' B' ' 397' ' ' ILE . 18.8 mt -61.91 -35.26 77.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.922 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -75.9 -28.76 58.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 60.31 110.895 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -74.96 -35.95 62.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.88 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.987 HG22 HD11 ' A' ' 365' ' ' ILE . 34.0 pt -73.37 -1.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 52.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -78.82 -34.07 45.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 71.35 110.888 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -19.85 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 65.42 110.898 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.503 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.51 120.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 70.24 110.931 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -177.15 133.12 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 62.2 110.909 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.6 p -58.98 133.71 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 71.22 111.151 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.5 t -69.41 169.27 12.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 64.22 110.871 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -70.84 -34.57 71.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.891 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 411' ' ' VAL . . . . . 0.435 HG13 HG13 ' B' ' 412' ' ' ILE . 5.8 p -53.21 -40.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.154 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' A' ' 370' ' ' VAL . 89.3 mt -73.88 -46.27 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 71.34 111.12 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 33.8 mtm -59.69 -34.3 72.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 75.13 110.877 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.44 -43.37 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.922 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -67.97 -34.74 77.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.919 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.2 p -58.65 -50.23 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 61.13 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 42.8 m -53.52 -44.59 69.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 52.43 111.14 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -50.55 -49.09 56.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 381' ' ' ALA . 49.3 mt -74.39 -37.84 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 43.52 110.926 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -56.97 -57.23 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.903 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -63.89 -33.96 76.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 72.53 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -55.47 -53.83 51.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 71.45 110.907 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 65.8 m-85 -68.49 -44.23 75.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 54.34 110.875 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -53.68 -40.79 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 71.03 110.948 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -59.65 -36.05 75.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 62.42 110.928 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 12.3 mtm -77.04 -34.96 57.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 74.43 110.879 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 427' ' ' PHE . . . . . 0.552 ' HE2' HD13 ' A' ' 397' ' ' ILE . 35.8 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 71.21 110.862 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.897 0.379 . . . . 60.3 110.862 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.6 tpt -53.23 -38.6 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 71.15 110.862 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -73.77 -36.08 65.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.868 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 4.2 m -68.08 -36.32 79.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.867 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 351' ' ' ARG . . . . . 0.479 HH11 HD22 ' A' ' 383' ' ' LEU . 8.2 ptp180 -77.43 -33.07 54.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 74.54 110.896 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 352' ' ' LEU . 20.8 mt -74.83 -40.97 60.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.907 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -62.85 -35.35 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.84 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -77.18 -34.87 56.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.864 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 25.3 mt -62.38 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.143 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -71.99 -39.67 69.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.863 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.76 -42.87 81.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 63.02 111.075 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.78 -36.13 64.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 64.34 110.904 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.478 HG22 HD12 ' A' ' 363' ' ' LEU . 35.1 mt -75.0 -31.66 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 73.32 111.165 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -52.91 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.903 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -72.8 -31.17 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 61.12 110.901 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 16.7 m -75.23 -6.28 48.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 73.51 110.914 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.478 HD12 HG22 ' A' ' 359' ' ' ILE . 43.1 mt -117.44 25.98 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 63.44 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 169.79 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.909 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 0.995 HD11 HG22 ' B' ' 403' ' ' ILE . 5.9 tp -84.51 -37.64 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 75.13 111.116 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -93.05 -31.79 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 72.25 110.854 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -110.53 36.75 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 65.54 110.894 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.649 HD13 ' CE1' ' B' ' 406' ' ' PHE . 19.4 tp -53.13 106.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 61.41 110.919 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -126.51 70.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.15 110.821 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.666 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.7 m -54.34 -28.76 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.141 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -51.59 -43.81 62.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.87 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -76.07 -31.67 58.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.861 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.433 ' SG ' HG23 ' A' ' 359' ' ' ILE . 48.6 t -52.99 -45.9 68.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 70.04 110.904 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -66.11 -45.73 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 55.44 111.111 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.33 -33.49 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.906 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.79 -53.87 7.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 74.24 111.054 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.98 -35.66 47.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 72.3 110.893 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.63 -49.0 76.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 44.25 110.858 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -58.73 -45.99 88.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 34.12 110.891 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.568 HD21 ' HE3' ' A' ' 396' ' ' MET . 1.2 tm? -52.44 -49.56 64.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 52.31 110.9 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -60.27 -34.15 73.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 53.33 111.121 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.91 -36.78 67.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.816 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.479 HD22 HH11 ' A' ' 351' ' ' ARG . 62.7 mt -67.4 119.96 13.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 63.21 110.916 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -77.6 60.38 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 74.02 110.92 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.79 137.05 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 44.12 111.12 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.1 t -102.65 170.14 8.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 72.12 111.166 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -35.97 47.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.911 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -59.29 4.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 70.25 110.916 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -35.82 82.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 70.44 110.873 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.3 -48.24 82.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.34 111.11 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 391' ' ' GLN . . . . . 0.59 ' O ' HG23 ' A' ' 394' ' ' THR . 4.0 mt-30 -51.78 -35.9 45.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 75.25 110.919 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -81.73 -35.11 30.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 71.12 110.903 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -95.31 35.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 70.14 110.833 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 391' ' ' GLN . 17.1 p -59.44 -35.53 74.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 63.35 111.193 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.6 -47.5 76.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 65.31 110.913 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.568 ' HE3' HD21 ' A' ' 380' ' ' LEU . 47.0 ttp -55.36 -37.62 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.928 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.737 ' HA ' HD12 ' A' ' 400' ' ' LEU . 53.6 mt -68.74 -43.18 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 64.34 111.095 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 41.0 m -54.36 -36.73 64.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.25 111.145 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -70.5 -40.75 73.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 64.32 111.175 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 397' ' ' ILE . 10.9 mt -53.68 -36.82 62.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.918 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -28.91 57.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 75.05 110.896 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -75.66 -35.62 60.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.01 110.902 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.023 HG22 HD11 ' B' ' 365' ' ' ILE . 39.4 pt -73.66 -0.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.134 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -33.12 37.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.885 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -20.44 6.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.884 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.67 120.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.04 110.878 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -179.68 138.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.489 HG13 ' HE2' ' B' ' 406' ' ' PHE . 6.7 m -63.84 136.26 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 43.23 111.121 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 9.8 t -70.25 173.64 6.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.826 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -35.46 74.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 74.23 110.888 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 10.6 p -61.43 -29.6 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.11 111.112 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.77 HD11 ' HB ' ' B' ' 370' ' ' VAL . 78.2 mt -74.15 -51.47 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.149 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.1 ptp -66.28 -45.49 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 65.12 110.898 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.5 -33.33 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 73.25 110.895 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -76.91 -40.72 46.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.887 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 416' ' ' SER . . . . . 0.445 ' HB2' HD11 ' B' ' 403' ' ' ILE . 54.5 p -56.5 -49.13 75.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.851 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 84.8 m -52.6 -34.24 49.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 73.02 111.165 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -48.95 79.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.859 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 51.0 mt -74.56 -36.38 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 71.2 110.91 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -66.13 -37.82 86.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.928 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -73.6 -34.97 65.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 73.14 110.878 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -70.09 -39.28 75.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.854 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.412 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 16.4 m-85 -75.38 -51.87 12.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -53.89 -32.28 52.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 63.42 110.924 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -68.07 -35.53 78.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 44.24 110.886 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 26.8 mtm -76.02 -34.62 59.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.937 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.474 ' CZ ' HG22 ' B' ' 394' ' ' THR . 12.9 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 65.35 110.821 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.858 0.361 . . . . 65.44 110.865 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.6 tpt -53.12 -38.37 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 74.02 110.904 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.29 -35.8 66.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.855 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 4.1 m -68.96 -38.2 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 65.45 110.844 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.79 -36.02 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 64.45 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.61 ' HA ' HD12 ' B' ' 355' ' ' ILE . 27.8 mt -71.47 -47.76 53.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.942 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -57.35 -31.07 65.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.895 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -76.66 -38.5 54.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 71.42 110.888 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.619 HG23 ' HB1' ' B' ' 376' ' ' ALA . 18.0 mt -62.52 -39.28 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.106 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -71.89 -43.55 65.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.843 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.36 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 75.04 111.095 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.96 -36.38 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.45 110.884 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.608 HG22 HD12 ' B' ' 363' ' ' LEU . 38.4 mt -72.73 -34.57 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 62.43 111.129 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -60.9 -51.11 70.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.9 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -71.31 -31.0 66.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 75.2 110.884 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 66.6 m -79.86 -2.01 41.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.855 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.608 HD12 HG22 ' B' ' 359' ' ' ILE . 25.8 mt -120.39 26.23 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 45.15 110.882 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -71.06 170.34 13.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.88 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.023 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.02 -38.4 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.076 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -93.22 -31.1 14.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 64.14 110.891 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -110.5 36.42 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 19.9 tp -53.18 107.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 73.24 110.903 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.45 67.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.895 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.77 ' HB ' HD11 ' A' ' 412' ' ' ILE . 16.1 m -51.75 -30.72 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 64.02 111.128 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -52.15 -42.07 63.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.906 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -75.77 -32.89 60.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 64.21 110.891 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.448 ' SG ' HG23 ' B' ' 359' ' ' ILE . 45.3 t -53.08 -48.84 67.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 61.02 110.838 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -63.05 -44.83 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 64.33 111.143 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.33 -34.79 35.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.619 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.74 -51.49 11.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.15 111.108 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 16.7 mt -52.2 -35.44 49.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 72.3 110.933 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.38 -49.14 72.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 54.03 110.859 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -57.11 -47.05 82.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 62.51 110.864 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.572 HD21 ' HE3' ' B' ' 396' ' ' MET . 1.0 OUTLIER -52.38 -52.2 54.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 72.31 110.948 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.69 -34.35 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 71.22 111.125 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.99 -37.13 67.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 63.33 110.88 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 67.5 mt -67.78 119.86 13.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 71.02 110.918 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -77.51 60.7 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 65.43 110.863 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.92 137.56 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 70.11 111.122 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 13.2 t -103.05 170.04 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 45.24 111.15 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -36.05 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.888 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -59.16 5.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.896 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -36.09 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.12 110.927 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.52 -48.5 81.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 62.03 111.081 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 391' ' ' GLN . . . . . 0.592 ' O ' HG23 ' B' ' 394' ' ' THR . 4.1 mt-30 -51.88 -36.07 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 71.43 110.92 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -81.19 -35.55 31.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 54.25 110.903 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -95.28 35.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.857 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.592 HG23 ' O ' ' B' ' 391' ' ' GLN . 16.5 p -59.42 -35.26 73.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 54.13 111.106 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.54 -47.28 76.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 74.34 110.864 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 396' ' ' MET . . . . . 0.572 ' HE3' HD21 ' B' ' 380' ' ' LEU . 44.8 ttp -55.33 -39.95 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.844 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.74 ' HA ' HD12 ' B' ' 400' ' ' LEU . 54.2 mt -66.29 -43.5 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.142 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 43.9 m -54.13 -36.89 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 55.43 111.14 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -70.52 -40.07 73.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 71.54 111.138 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' B' ' 397' ' ' ILE . 11.0 mt -54.19 -37.35 64.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.876 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.27 -28.55 57.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 60.31 110.943 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -75.69 -34.16 60.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.925 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.995 HG22 HD11 ' A' ' 365' ' ' ILE . 36.3 pt -75.31 -1.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 52.0 111.09 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -34.1 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 71.35 110.858 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.0 -17.23 9.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 65.42 110.862 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.649 ' CE1' HD13 ' A' ' 368' ' ' LEU . 5.6 t80 -43.07 115.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 70.24 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -174.2 137.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 62.2 110.864 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.419 HG22 ' O ' ' B' ' 409' ' ' SER . 2.5 p -59.25 137.93 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 71.22 111.155 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 409' ' ' SER . . . . . 0.419 ' O ' HG22 ' B' ' 408' ' ' VAL . 9.8 t -71.97 179.98 3.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 64.22 110.832 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 410' ' ' GLN . . . . . 0.4 ' HA ' ' HG2' ' B' ' 413' ' ' MET . 0.0 OUTLIER -80.12 -39.6 29.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.928 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.47 -29.3 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.1 111.137 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.666 HD11 ' HB ' ' A' ' 370' ' ' VAL . 85.9 mt -75.02 -54.04 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 71.34 111.08 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 413' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' B' ' 410' ' ' GLN . 22.1 ptp -62.02 -44.37 96.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.859 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -63.32 -32.75 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.895 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -76.64 -39.54 52.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.915 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 416' ' ' SER . . . . . 0.417 ' HB2' HD11 ' A' ' 403' ' ' ILE . 60.3 p -57.85 -47.88 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 61.13 110.874 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 87.7 m -53.39 -34.35 57.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 52.43 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -48.05 82.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.86 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.54 -36.15 63.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 43.52 110.872 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -67.14 -37.6 84.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -73.49 -35.18 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.53 110.923 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -69.95 -39.26 76.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 71.45 110.896 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 16.6 m-85 -75.29 -51.71 12.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 54.34 110.909 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -54.23 -32.38 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 71.03 110.951 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -68.02 -35.39 78.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 62.42 110.868 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 26.6 mtm -75.99 -34.72 59.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.869 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 427' ' ' PHE . . . . . 0.477 ' CZ ' HG22 ' A' ' 394' ' ' THR . 13.1 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 71.21 110.84 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.891 0.376 . . . . 60.3 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -39.9 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 71.15 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -73.3 -35.9 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.866 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -38.73 76.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 64.41 110.912 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -75.66 -34.91 60.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 74.54 110.892 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.691 ' HA ' HD12 ' A' ' 355' ' ' ILE . 11.1 mt -71.78 -47.67 51.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.94 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -57.67 -30.46 65.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 72.33 110.873 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -73.18 -40.28 64.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.897 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 352' ' ' LEU . 19.8 mt -60.62 -41.82 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.164 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -71.98 -39.53 69.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 71.44 110.82 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.83 -45.27 78.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 63.02 111.123 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -55.12 -53.8 51.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 64.34 110.851 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.483 HG22 HD12 ' A' ' 363' ' ' LEU . 51.9 mt -55.09 -35.61 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.15 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -58.65 -51.9 67.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.35 110.856 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -72.97 -32.85 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 61.12 110.915 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 8.2 m -74.05 -7.67 53.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.51 110.828 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.483 HD12 HG22 ' A' ' 359' ' ' ILE . 43.5 mt -115.21 26.22 10.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 63.44 110.927 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 170.58 10.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 0.982 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.43 -37.82 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 75.13 111.111 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -92.7 -31.53 15.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.887 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.51 36.36 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 65.54 110.883 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.493 HD13 ' CD2' ' B' ' 406' ' ' PHE . 19.5 tp -53.48 107.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 61.41 110.911 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -131.46 81.84 2.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.857 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.556 ' HB ' HD11 ' B' ' 412' ' ' ILE . 8.9 m -60.92 -26.96 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.073 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -51.93 -39.91 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.89 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -75.76 -34.69 60.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.854 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.462 ' SG ' HG23 ' A' ' 359' ' ' ILE . 7.9 t -53.37 -59.56 4.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 70.04 110.872 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.33 -48.73 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 55.44 111.119 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.88 -35.24 44.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.49 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.82 -53.51 7.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.128 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.694 HD22 HD12 ' B' ' 419' ' ' LEU . 85.4 mt -52.2 -35.49 49.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.897 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.6 -48.9 79.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 44.25 110.901 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -43.55 98.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 34.12 110.883 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.725 HD21 ' HE3' ' A' ' 396' ' ' MET . 2.6 tm? -55.85 -37.11 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 52.31 110.953 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.51 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -73.55 -35.08 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 53.33 111.116 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -36.41 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 74.33 110.821 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 73.5 mt -58.99 131.11 50.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 63.21 110.913 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -89.6 55.35 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.02 110.917 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.98 137.64 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 44.12 111.111 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -102.74 171.85 7.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 72.12 111.145 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -40.65 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.897 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.17 -59.26 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 70.25 110.865 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.43 -36.56 81.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 70.44 110.921 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.98 77.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 73.34 111.09 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -51.93 -37.91 54.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.918 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.4 -35.4 61.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.912 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -95.26 35.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 70.14 110.84 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.515 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.1 OUTLIER -62.79 -38.23 89.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 63.35 111.14 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.44 -48.97 73.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 65.31 110.883 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.725 ' HE3' HD21 ' A' ' 380' ' ' LEU . 53.8 ttp -55.35 -35.65 65.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.852 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.804 ' HA ' HD12 ' A' ' 400' ' ' LEU . 60.8 mt -68.47 -36.64 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 64.34 111.151 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 16.7 m -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 71.25 111.128 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.2 m -64.55 -35.63 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 64.32 111.124 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 397' ' ' ILE . 21.5 mt -57.56 -35.22 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.918 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -76.25 -29.2 57.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 75.05 110.889 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -74.8 -35.62 62.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 71.01 110.909 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.025 HG22 HD11 ' B' ' 365' ' ' ILE . 35.9 pt -73.23 -1.55 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.44 111.098 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -34.45 42.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.01 110.85 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.63 -18.71 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.49 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.6 OUTLIER -40.13 117.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.879 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -174.28 135.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.414 HG22 ' HB ' ' A' ' 412' ' ' ILE . 10.7 p -61.86 133.49 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 43.23 111.179 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 37.9 t -68.94 167.57 15.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.888 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -69.55 -35.16 75.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 411' ' ' VAL . . . . . 0.424 HG13 HG13 ' A' ' 412' ' ' ILE . 5.6 p -53.36 -40.28 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 73.11 111.112 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.594 HD11 ' HB ' ' B' ' 370' ' ' VAL . 94.0 mt -73.56 -45.55 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.31 111.131 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.01 -33.25 72.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 65.12 110.88 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.31 -53.32 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.895 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -60.28 -41.22 92.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.887 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 94.1 p -54.95 -41.95 71.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.867 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 34.6 m -59.5 -57.75 11.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 73.02 111.14 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 8.5 ttp -49.5 -38.26 29.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 71.21 110.85 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.608 HD12 HD22 ' B' ' 377' ' ' LEU . 61.9 mt -75.23 -35.57 61.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 71.2 110.85 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -61.69 -62.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 74.23 110.942 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -59.54 -33.39 71.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -52.56 -46.34 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.885 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.594 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 60.0 m-85 -75.51 -46.41 32.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 74.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 11.4 tttm -52.96 -36.84 60.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 63.42 110.909 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -60.81 -35.41 76.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 44.24 110.944 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 23.3 mtm -76.81 -35.35 57.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.886 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 65.35 110.874 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.887 0.375 . . . . 65.44 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.57 -39.05 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 74.02 110.876 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.15 -37.01 66.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.889 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -39.33 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 65.45 110.839 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.87 -36.35 62.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 64.45 110.861 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.705 ' HA ' HD12 ' B' ' 355' ' ' ILE . 11.8 mt -71.57 -48.05 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 63.21 110.945 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -58.4 -32.64 68.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 64.41 110.896 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -70.3 -40.15 74.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 71.42 110.902 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' B' ' 352' ' ' LEU . 14.8 mt -61.81 -41.87 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.43 111.142 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -69.72 -38.68 76.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.841 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.69 -43.94 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 75.04 111.14 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -55.39 -54.09 48.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.45 110.893 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.468 HG22 HD12 ' B' ' 363' ' ' LEU . 54.3 mt -54.82 -35.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 62.43 111.127 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -58.32 -51.91 67.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 74.3 110.923 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -73.15 -32.59 64.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.88 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.2 m -74.12 -7.59 53.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.861 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.468 HD12 HG22 ' B' ' 359' ' ' ILE . 46.0 mt -115.49 26.22 10.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 45.15 110.901 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 170.7 9.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.917 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.025 HD11 HG22 ' A' ' 403' ' ' ILE . 5.4 tp -84.43 -37.84 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.134 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -92.86 -31.81 14.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 64.14 110.882 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.2 36.44 2.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 65.1 110.876 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 406' ' ' PHE . 19.3 tp -53.42 107.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.922 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -131.69 81.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 74.12 110.867 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.594 ' HB ' HD11 ' A' ' 412' ' ' ILE . 9.4 m -61.08 -26.72 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.02 111.117 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -51.81 -39.95 59.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.873 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -75.86 -34.57 60.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 64.21 110.889 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.449 ' SG ' HG23 ' B' ' 359' ' ' ILE . 10.8 t -53.45 -58.87 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 61.02 110.897 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.5 -48.11 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 64.33 111.103 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.77 -35.59 44.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.628 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.78 -52.89 8.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.15 111.129 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 377' ' ' LEU . . . . . 0.608 HD22 HD12 ' A' ' 419' ' ' LEU . 79.4 mt -52.21 -35.7 50.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 72.3 110.916 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.27 -49.04 78.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 54.03 110.872 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -42.88 99.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 62.51 110.896 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.701 HD21 ' HE3' ' B' ' 396' ' ' MET . 2.4 tm? -56.01 -40.49 73.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.899 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 381' ' ' ALA . . . . . 0.524 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -70.65 -35.09 72.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 71.22 111.057 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -37.08 67.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 63.33 110.856 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.54 131.18 50.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 71.02 110.875 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -90.02 55.57 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 65.43 110.925 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.95 137.46 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 70.11 111.149 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -101.97 172.47 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 45.24 111.164 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -40.46 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.859 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.43 -58.57 6.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.945 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.81 -36.29 80.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.891 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.71 -48.8 78.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 62.03 111.099 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -51.97 -36.89 51.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 71.43 110.959 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -35.77 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 54.25 110.883 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -95.36 35.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.874 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.578 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.1 OUTLIER -62.35 -37.78 86.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 54.13 111.156 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.43 -48.2 74.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.891 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 396' ' ' MET . . . . . 0.701 ' HE3' HD21 ' B' ' 380' ' ' LEU . 53.9 ttp -55.6 -36.8 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 75.43 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' B' ' 400' ' ' LEU . 55.5 mt -66.54 -37.62 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 71.44 111.135 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 16.9 m -61.68 -39.73 92.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 55.43 111.151 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.0 m -64.42 -35.18 80.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 71.54 111.15 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' B' ' 397' ' ' ILE . 23.0 mt -58.28 -36.38 73.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 75.11 110.923 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -75.57 -29.07 59.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 60.31 110.916 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -74.27 -36.31 63.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.879 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.982 HG22 HD11 ' A' ' 365' ' ' ILE . 32.6 pt -73.46 -1.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 52.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -34.32 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 71.35 110.873 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.24 -18.82 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 65.42 110.868 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.503 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.86 118.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.896 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -174.79 134.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 62.2 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.11 134.3 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 71.22 111.126 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 37.2 t -69.73 168.22 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.858 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -70.1 -35.04 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 73.33 110.9 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 411' ' ' VAL . . . . . 0.432 HG13 HG13 ' B' ' 412' ' ' ILE . 5.8 p -53.2 -40.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 73.1 111.133 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.556 HD11 ' HB ' ' A' ' 370' ' ' VAL . 86.9 mt -73.87 -45.07 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 71.34 111.149 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.9 mtm -61.12 -32.52 72.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.888 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.91 -53.47 13.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.914 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -59.97 -39.42 85.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 416' ' ' SER . . . . . 0.408 ' HB2' HD11 ' A' ' 403' ' ' ILE . 77.1 p -55.15 -46.62 75.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 61.13 110.845 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 37.7 m -56.68 -57.23 13.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 52.43 111.112 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 8.4 ttp -50.28 -35.7 28.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.866 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.694 HD12 HD22 ' A' ' 377' ' ' LEU . 50.3 mt -74.7 -46.44 37.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 43.52 110.922 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -59.65 -55.14 38.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.921 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -57.62 -35.14 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.92 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -57.99 -51.07 71.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.906 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.582 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 56.4 m-85 -66.39 -46.8 75.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 54.34 110.907 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -53.22 -35.72 60.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 71.03 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.65 -35.53 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 62.42 110.893 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 23.3 mtm -76.53 -35.11 58.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.868 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 71.21 110.898 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.825 0.345 . . . . 60.3 110.873 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -34.24 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 71.15 110.863 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -73.49 -35.8 65.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.889 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -39.08 89.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.883 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 351' ' ' ARG . . . . . 0.46 HH11 HD22 ' A' ' 383' ' ' LEU . 7.4 ptp180 -74.92 -33.62 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.54 110.878 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.688 ' HA ' HD12 ' A' ' 355' ' ' ILE . 1.1 mp -71.19 -47.77 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.962 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -56.08 -28.64 58.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.883 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -77.2 -41.0 43.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.847 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 352' ' ' LEU . 21.3 mt -59.69 -38.77 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 73.14 111.133 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -71.9 -51.14 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.838 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.63 94.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 63.02 111.11 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.17 -52.1 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 64.34 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 44.3 mt -59.24 -35.0 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.32 111.138 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -61.64 -52.46 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 71.35 110.863 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -70.77 -26.96 63.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 61.12 110.872 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.2 p -76.86 -27.18 54.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 73.51 110.852 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 363' ' ' LEU . 37.4 mt -94.85 26.57 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 63.44 110.939 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 168.84 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.13 110.865 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 0.965 HD11 HG22 ' B' ' 403' ' ' ILE . 5.7 tp -84.9 -41.0 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 75.13 111.151 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 366' ' ' ASP . . . . . 0.418 ' N ' HG23 ' A' ' 365' ' ' ILE . 47.6 t0 -89.18 -33.74 16.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.879 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -106.78 36.56 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 65.54 110.857 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.7 tp -54.46 106.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 61.41 110.924 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -132.58 74.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.921 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.769 ' HB ' HD11 ' B' ' 412' ' ' ILE . 18.2 m -51.3 -28.99 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.121 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -51.29 -37.79 49.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.86 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -76.33 -35.45 58.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.846 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 23.6 t -55.6 -57.9 10.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 70.04 110.887 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -53.41 -49.07 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 55.44 111.096 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -51.66 -35.29 41.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.884 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.497 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.94 -51.33 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.121 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 45.9 mt -52.1 -40.9 61.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.3 110.952 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.69 -44.47 96.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 44.25 110.876 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -48.02 83.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 34.12 110.92 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.517 HD21 ' HE3' ' A' ' 396' ' ' MET . 0.7 OUTLIER -52.47 -52.57 53.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 52.31 110.929 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.21 -34.19 63.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 53.33 111.143 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.39 -36.11 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.879 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.46 HD22 HH11 ' A' ' 351' ' ' ARG . 60.7 mt -70.9 123.96 23.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 63.21 110.901 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.96 73.56 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 74.02 110.921 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 23.6 t -71.05 132.31 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 44.12 111.101 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 386' ' ' THR . . . . . 0.433 HG22 ' OE1' ' A' ' 389' ' ' GLN . 15.1 t -95.56 172.48 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 72.12 111.179 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -39.15 80.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.825 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -60.56 -46.69 89.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 70.25 110.922 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 389' ' ' GLN . . . . . 0.433 ' OE1' HG22 ' A' ' 386' ' ' THR . 0.1 OUTLIER -71.07 -44.45 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 70.44 110.908 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.68 -44.0 81.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.34 111.105 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -51.69 -36.41 46.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.891 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.9 -35.21 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 71.12 110.891 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.653 ' CG ' HD23 ' A' ' 352' ' ' LEU . 74.8 m80 -95.42 35.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 70.14 110.842 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.1 p -64.41 -39.4 93.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.35 111.147 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -55.46 -48.12 75.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 65.31 110.862 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.517 ' HE3' HD21 ' A' ' 380' ' ' LEU . 58.5 ttp -55.36 -36.13 65.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 74.31 110.921 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.774 ' HA ' HD12 ' A' ' 400' ' ' LEU . 55.0 mt -68.95 -35.14 67.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 64.34 111.152 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 89.0 m -61.42 -40.22 93.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 71.25 111.119 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.0 m -62.44 -37.44 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 64.32 111.191 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 397' ' ' ILE . 15.2 mt -56.37 -34.82 67.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.889 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -76.16 -28.61 57.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 75.05 110.877 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.53 -35.54 60.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 71.01 110.865 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 0.957 HG22 HD11 ' B' ' 365' ' ' ILE . 36.1 pt -73.47 -1.56 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 75.44 111.15 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -79.61 -33.59 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 64.01 110.889 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.82 -20.14 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.9 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.489 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.43 123.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.04 110.861 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -178.91 140.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.21 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.524 HG22 ' HB ' ' A' ' 412' ' ' ILE . 9.7 p -59.91 143.75 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 43.23 111.105 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 8.0 t -76.49 179.65 5.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.868 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -80.34 -33.61 37.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.923 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.12 -38.28 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.102 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.761 HD11 ' HB ' ' B' ' 370' ' ' VAL . 98.3 mt -67.08 -54.52 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.31 111.15 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 25.6 ptp -59.86 -33.96 72.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 65.12 110.872 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -73.61 -35.89 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.873 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -76.47 -35.71 58.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.0 p -58.15 -47.12 84.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 71.33 110.784 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 32.2 m -53.31 -45.29 68.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 73.02 111.122 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.7 tpt -50.88 -50.32 57.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 71.21 110.884 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.804 HD12 HD12 ' B' ' 380' ' ' LEU . 3.7 mm? -69.51 -44.17 71.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 71.2 110.903 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -54.94 -44.82 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.963 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -72.39 -44.67 62.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 73.14 110.867 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -53.81 -46.84 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.928 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -63.18 -45.22 92.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 74.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -35.88 76.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 63.42 110.91 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -52.92 -34.09 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 44.24 110.866 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 59.2 mtm -85.47 -35.58 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.832 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 65.35 110.893 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.903 0.382 . . . . 65.44 110.822 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -36.98 73.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 74.02 110.91 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -73.44 -39.54 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.86 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -39.54 94.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 65.45 110.868 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -74.69 -34.71 62.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 64.45 110.915 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.825 ' HA ' HD12 ' B' ' 355' ' ' ILE . 12.1 mt -71.51 -47.86 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 63.21 110.891 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -55.76 -28.56 56.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.931 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -76.8 -39.32 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.42 110.891 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.825 HD12 ' HA ' ' B' ' 352' ' ' LEU . 17.7 mt -60.5 -38.37 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.104 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -71.32 -49.84 38.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.823 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.03 99.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 75.04 111.095 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.59 -51.19 67.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.832 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.403 HG23 ' SG ' ' B' ' 373' ' ' CYS . 43.3 mt -59.87 -35.47 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 62.43 111.145 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -61.05 -52.27 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 74.3 110.869 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -70.9 -27.21 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.2 110.888 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.7 p -76.68 -27.41 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.895 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 37.1 mt -94.45 26.3 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 45.15 110.926 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 168.85 9.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 72.41 110.895 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 0.957 HD11 HG22 ' A' ' 403' ' ' ILE . 5.8 tp -84.91 -40.84 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 74.33 111.116 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.42 ' N ' HG23 ' B' ' 365' ' ' ILE . 47.7 t0 -89.37 -33.55 16.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.872 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -106.88 36.56 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 65.1 110.885 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 16.8 tp -54.42 106.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.902 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -132.74 74.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.761 ' HB ' HD11 ' A' ' 412' ' ' ILE . 18.0 m -51.39 -29.04 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 64.02 111.126 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -51.38 -37.61 49.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 73.44 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -76.37 -35.53 58.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 64.21 110.874 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.403 ' SG ' HG23 ' B' ' 359' ' ' ILE . 20.1 t -55.35 -58.04 9.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 61.02 110.902 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.3 -47.62 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 64.33 111.143 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.96 -36.31 49.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.601 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.98 -48.86 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.15 111.11 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.11 -39.66 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 72.3 110.919 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.08 -48.31 80.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 54.03 110.846 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -46.73 79.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 62.51 110.88 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.804 HD12 HD12 ' A' ' 419' ' ' LEU . 0.4 OUTLIER -52.34 -54.93 25.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.916 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.48 64.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.22 111.071 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.62 -36.41 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.33 110.845 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 58.1 mt -72.17 121.56 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 71.02 110.909 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.37 72.32 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 65.43 110.904 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 24.6 t -69.49 132.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 70.11 111.126 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 386' ' ' THR . . . . . 0.404 HG22 ' OE1' ' B' ' 389' ' ' GLN . 15.1 t -96.2 172.34 8.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 45.24 111.136 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -38.53 79.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.83 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -60.99 -47.16 87.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.938 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 389' ' ' GLN . . . . . 0.404 ' OE1' HG22 ' B' ' 386' ' ' THR . 0.1 OUTLIER -70.79 -44.58 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 74.12 110.91 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.05 -44.28 78.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 62.03 111.095 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -51.81 -36.05 46.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.916 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.51 -35.5 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 54.25 110.915 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -95.24 35.6 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.861 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.1 p -63.45 -40.8 98.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 54.13 111.126 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -55.55 -47.31 76.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.901 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 396' ' ' MET . . . . . 0.452 ' HE3' HD21 ' B' ' 380' ' ' LEU . 53.9 ttp -55.35 -35.77 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.43 110.855 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.794 ' HA ' HD12 ' B' ' 400' ' ' LEU . 54.7 mt -70.1 -34.84 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.109 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 88.2 m -61.2 -40.08 92.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 55.43 111.137 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.4 m -62.38 -37.95 87.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 71.54 111.145 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' B' ' 397' ' ' ILE . 12.5 mt -55.87 -35.17 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.877 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -76.03 -28.48 57.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 60.31 110.898 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.54 -35.59 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.895 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.965 HG22 HD11 ' A' ' 365' ' ' ILE . 35.7 pt -73.49 -1.62 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 52.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -79.57 -33.39 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.86 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.06 -20.22 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 65.42 110.879 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.468 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -40.25 123.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 70.24 110.925 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -178.81 140.32 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.2 110.937 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.522 HG22 ' HB ' ' B' ' 412' ' ' ILE . 9.8 p -60.21 143.46 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 71.22 111.155 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 7.9 t -76.11 179.45 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 64.22 110.885 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -80.22 -33.72 37.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.914 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.09 -38.37 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.1 111.083 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.769 HD11 ' HB ' ' A' ' 370' ' ' VAL . 98.4 mt -66.87 -54.51 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 71.34 111.102 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.9 ptp -59.67 -33.89 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.904 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -73.8 -36.03 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.881 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -76.23 -34.97 59.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 74.32 110.849 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.8 p -58.89 -48.01 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 61.13 110.864 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 67.9 m -53.3 -44.44 68.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 52.43 111.173 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -51.53 -50.13 60.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.864 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 25.8 mt -71.5 -40.42 70.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 43.52 110.878 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.54 -44.12 84.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 75.05 110.916 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -73.55 -44.13 58.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 72.53 110.933 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -53.43 -47.85 69.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.932 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -62.46 -44.03 97.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 54.34 110.87 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -35.89 78.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 71.03 110.865 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -53.05 -33.54 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 62.42 110.875 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 59.4 mtm -85.56 -35.36 21.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.874 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 71.21 110.885 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.892 0.377 . . . . 60.3 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.12 -36.86 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 71.15 110.845 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.93 -35.82 64.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 75.24 110.817 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.2 -37.6 81.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 64.41 110.861 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -75.21 -34.21 61.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.828 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.597 HD23 ' CG ' ' A' ' 393' ' ' HIS . 0.9 OUTLIER -71.45 -47.64 54.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 73.52 110.876 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -57.76 -30.62 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.882 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -77.12 -43.46 34.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.883 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.593 HG23 ' HB1' ' A' ' 376' ' ' ALA . 76.6 mt -63.55 -39.21 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.14 111.105 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -72.19 -45.07 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 71.44 110.796 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.96 87.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 63.02 111.063 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -54.77 -54.07 46.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 64.34 110.899 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 45.4 mt -55.39 -33.82 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 73.32 111.127 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -61.89 -52.09 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.35 110.922 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -69.56 -29.41 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 61.12 110.896 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 13.3 m -76.13 -26.92 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 73.51 110.822 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 22.6 mt -93.98 26.74 3.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 63.44 110.891 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.73 170.56 7.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 73.13 110.888 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 0.924 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.46 -39.79 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 75.13 111.095 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 366' ' ' ASP . . . . . 0.403 ' N ' HG23 ' A' ' 365' ' ' ILE . 3.1 p30 -91.02 -33.38 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 72.25 110.922 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -105.4 36.23 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 65.54 110.846 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' B' ' 406' ' ' PHE . 17.8 tp -55.57 107.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 61.41 110.927 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -134.55 76.03 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.908 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.43 HG12 ' CD1' ' B' ' 412' ' ' ILE . 5.3 m -51.42 -29.29 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.32 111.156 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -51.71 -37.73 52.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.911 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -75.98 -35.87 59.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.878 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 35.3 t -55.21 -58.93 5.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 70.04 110.899 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.57 -47.27 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 55.44 111.106 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.79 -36.79 49.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.883 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.593 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -77.15 -50.84 12.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 74.24 111.083 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.417 HD11 HG23 ' B' ' 412' ' ' ILE . 28.9 mt -51.94 -34.46 42.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.912 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 44.25 110.869 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.59 -49.2 78.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 34.12 110.916 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.732 HD12 HD22 ' B' ' 419' ' ' LEU . 1.7 tm? -51.88 -37.16 51.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 52.31 110.924 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.62 -34.6 76.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 53.33 111.092 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 8.4 t -79.05 -33.79 44.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.856 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.04 122.17 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 63.21 110.93 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -76.87 65.44 2.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.939 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -66.46 134.65 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 44.12 111.147 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.5 t -109.34 177.27 4.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 72.12 111.107 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.891 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -51.5 -50.47 59.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 70.25 110.927 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -38.59 63.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 70.44 110.864 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.09 -48.02 74.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 73.34 111.13 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -51.71 -35.79 44.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.911 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -81.47 -35.53 30.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 71.12 110.937 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.597 ' CG ' HD23 ' A' ' 352' ' ' LEU . 73.1 m80 -95.49 35.77 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 70.14 110.845 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.0 p -60.84 -37.54 82.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 63.35 111.145 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -45.34 84.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 65.31 110.872 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 48.4 ttp -55.36 -38.23 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.748 ' HA ' HD12 ' A' ' 400' ' ' LEU . 48.0 mt -69.06 -43.11 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 64.34 111.113 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 34.9 m -54.32 -37.51 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 71.25 111.136 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.8 m -68.07 -42.5 80.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 64.32 111.147 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 397' ' ' ILE . 27.5 mt -52.36 -38.16 58.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 73.43 110.916 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -75.9 -28.75 58.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 75.05 110.895 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -74.94 -36.01 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 71.01 110.911 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 0.975 HG22 HD11 ' B' ' 365' ' ' ILE . 34.3 pt -73.2 -1.53 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 75.44 111.136 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.06 -34.57 43.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.01 110.873 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 405' ' ' ARG . . . . . 0.428 HH21 HD23 ' B' ' 368' ' ' LEU . 0.0 OUTLIER -121.1 -18.6 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.44 110.872 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.48 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.2 OUTLIER -41.27 121.81 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.936 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -177.95 137.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.13 134.88 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 43.23 111.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 28.4 t -71.73 173.16 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.853 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -73.19 -34.07 65.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 74.23 110.889 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 411' ' ' VAL . . . . . 0.414 HG13 HG13 ' A' ' 412' ' ' ILE . 4.6 p -53.18 -41.32 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 73.11 111.14 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.442 ' CD1' HG12 ' B' ' 370' ' ' VAL . 98.2 mt -73.68 -49.66 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.129 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 36.2 mtm -55.81 -33.55 64.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 65.12 110.858 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.56 -53.36 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 73.25 110.89 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -59.76 -39.64 85.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.872 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -55.05 -47.67 74.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 71.33 110.847 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 24.8 m -57.16 -46.84 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 73.02 111.145 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 12.9 ttp -53.82 -42.25 68.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 71.21 110.851 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.642 HD22 HD12 ' B' ' 380' ' ' LEU . 57.1 mt -74.22 -44.75 51.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.958 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -56.06 -47.65 77.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.921 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -63.07 -40.99 99.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 73.14 110.893 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -53.56 -51.47 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.903 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.629 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 19.4 m-85 -66.53 -35.1 79.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 74.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -61.23 -37.47 83.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 63.42 110.895 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.05 -39.82 95.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 44.24 110.906 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 8.7 mtm -74.87 -32.85 61.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.9 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 65.35 110.887 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.899 0.381 . . . . 65.44 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.37 -35.79 60.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 74.02 110.89 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.78 -35.78 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 75.42 110.879 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -37.97 81.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 65.45 110.871 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -74.87 -33.62 62.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 64.45 110.837 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.419 HD23 ' CG ' ' B' ' 393' ' ' HIS . 1.4 mp -74.18 -33.24 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 63.21 110.956 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.56 -35.14 72.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 64.41 110.897 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -77.05 -38.32 52.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.871 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.554 HG23 ' HB1' ' B' ' 376' ' ' ALA . 60.8 mt -66.07 -40.81 88.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 75.43 111.156 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -72.05 -41.57 67.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.841 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.98 77.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.04 111.102 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -55.1 -51.22 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.901 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.432 HG22 HD12 ' B' ' 363' ' ' LEU . 42.7 mt -57.79 -33.53 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 62.43 111.16 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -62.59 -52.07 64.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 74.3 110.928 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -69.4 -30.28 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.2 110.907 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 14.3 m -76.06 -26.62 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.832 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.432 HD12 HG22 ' B' ' 359' ' ' ILE . 21.4 mt -94.11 26.72 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 45.15 110.957 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.1 171.3 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.925 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 0.975 HD11 HG22 ' A' ' 403' ' ' ILE . 5.7 tp -84.57 -39.7 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.33 111.101 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.401 ' N ' HG23 ' B' ' 365' ' ' ILE . 3.0 p30 -91.61 -32.97 15.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.879 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -105.01 36.31 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 65.1 110.904 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 406' ' ' PHE . 17.1 tp -56.0 107.5 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.24 110.907 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -135.08 76.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.891 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.442 HG12 ' CD1' ' A' ' 412' ' ' ILE . 5.6 m -51.98 -28.89 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 64.02 111.077 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.61 -38.5 54.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.888 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -75.95 -35.41 59.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 64.21 110.868 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.42 ' SG ' HG23 ' B' ' 359' ' ' ILE . 20.1 t -54.64 -59.89 4.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 61.02 110.901 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.5 -45.55 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 64.33 111.112 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.15 -37.55 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.554 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.98 -50.12 13.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 73.15 111.094 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 377' ' ' LEU . . . . . 0.424 HD11 HG23 ' A' ' 412' ' ' ILE . 29.4 mt -51.98 -34.31 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.959 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.95 -48.94 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 54.03 110.862 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -58.5 -50.55 73.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 62.51 110.897 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.655 HD13 ' O ' ' B' ' 380' ' ' LEU . 1.3 tm? -52.41 -37.43 56.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.924 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.19 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 71.22 111.108 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 8.4 t -79.96 -34.16 38.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 63.33 110.852 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.6 mt -65.37 123.94 20.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 71.02 110.918 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -77.76 73.24 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 65.43 110.944 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.96 141.24 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 70.11 111.087 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 386' ' ' THR . . . . . 0.43 HG23 ' H ' ' B' ' 389' ' ' GLN . 14.9 t -116.02 173.08 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 45.24 111.162 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -39.98 96.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.904 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.75 -50.32 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.95 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 389' ' ' GLN . . . . . 0.43 ' H ' HG23 ' B' ' 386' ' ' THR . 0.0 OUTLIER -73.25 -38.72 65.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.12 110.911 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -54.81 -48.43 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 62.03 111.065 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.99 -35.81 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.879 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -81.37 -35.63 30.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 54.25 110.895 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 393' ' ' HIS . . . . . 0.419 ' CG ' HD23 ' B' ' 352' ' ' LEU . 71.4 m80 -95.38 35.52 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.851 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 3.5 p -60.77 -37.42 81.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 54.13 111.117 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -46.39 81.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 74.34 110.902 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 44.3 ttp -55.25 -36.55 66.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.897 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.723 ' HA ' HD12 ' B' ' 400' ' ' LEU . 22.3 mt -70.13 -43.11 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.119 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 33.1 m -56.3 -36.62 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 55.43 111.122 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.0 m -67.83 -43.38 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 71.54 111.152 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' B' ' 397' ' ' ILE . 18.7 mt -53.1 -36.71 61.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.923 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -76.29 -28.69 57.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 60.31 110.859 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -75.55 -35.38 60.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 72.14 110.9 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.924 HG22 HD11 ' A' ' 365' ' ' ILE . 35.7 pt -73.35 -1.58 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 52.0 111.168 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -79.17 -34.35 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 71.35 110.865 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 405' ' ' ARG . . . . . 0.413 HH21 HD23 ' A' ' 368' ' ' LEU . 0.0 OUTLIER -120.87 -18.15 7.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.896 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.515 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -41.16 121.94 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 70.24 110.864 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -177.8 138.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 62.2 110.917 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.05 134.51 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 71.22 111.095 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.1 t -71.36 172.02 10.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 64.22 110.865 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -72.18 -34.29 68.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.906 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.01 -41.84 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 73.1 111.145 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.43 ' CD1' HG12 ' A' ' 370' ' ' VAL . 97.9 mt -73.06 -49.96 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 71.34 111.128 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 36.6 mtm -55.62 -33.86 64.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.871 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.32 -53.3 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.881 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -59.66 -40.22 87.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.913 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.3 p -55.0 -46.54 75.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 61.13 110.869 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 25.0 m -58.18 -46.75 85.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 52.43 111.156 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 12.9 ttp -54.28 -41.81 69.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.898 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.732 HD22 HD12 ' A' ' 380' ' ' LEU . 51.6 mt -74.36 -45.07 49.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 43.52 110.888 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -55.56 -47.28 76.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.911 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -61.74 -39.65 92.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -55.04 -51.59 65.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 71.45 110.864 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.452 ' HB3' HD13 ' A' ' 397' ' ' ILE . 74.1 m-85 -65.91 -31.88 73.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 54.34 110.843 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -67.05 -35.0 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 71.03 110.922 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -64.77 -43.7 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 62.42 110.878 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.1 ptp -73.97 -31.79 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.866 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 71.21 110.895 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.841 0.353 . . . . 60.3 110.816 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.61 -38.44 64.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 71.15 110.862 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -73.43 -35.75 65.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.24 110.915 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.16 -36.58 79.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 64.41 110.876 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 351' ' ' ARG . . . . . 0.491 HH11 HD22 ' A' ' 383' ' ' LEU . 8.5 ptp180 -77.57 -33.54 53.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 74.54 110.848 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 352' ' ' LEU . 18.9 mt -75.03 -40.74 60.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.892 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.07 -35.36 79.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.897 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -77.28 -35.33 55.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 75.43 110.857 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 26.8 mt -62.34 -42.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.114 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -72.11 -45.38 60.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.881 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.62 99.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 63.02 111.129 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -54.98 -42.37 72.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 64.34 110.903 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.542 HG22 HD12 ' A' ' 363' ' ' LEU . 38.8 mt -66.06 -34.19 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 73.32 111.153 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -58.79 -52.12 67.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.933 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -70.38 -33.58 71.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 61.12 110.895 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 9.6 p -74.66 -10.62 59.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 73.51 110.858 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.542 HD12 HG22 ' A' ' 359' ' ' ILE . 31.5 mt -113.23 26.44 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 63.44 110.926 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.79 169.76 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.884 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 0.997 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.29 -38.66 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 75.13 111.151 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -91.7 -31.96 15.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 72.25 110.858 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -109.76 36.35 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 65.54 110.864 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' B' ' 406' ' ' PHE . 18.7 tp -53.69 107.32 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 61.41 110.885 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -132.03 80.9 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 74.15 110.843 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' B' ' 412' ' ' ILE . 11.3 m -59.28 -27.16 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.32 111.125 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -51.72 -40.19 59.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 71.21 110.904 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -35.17 59.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.833 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 359' ' ' ILE . 13.3 t -53.42 -57.58 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 70.04 110.858 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.58 -49.69 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 55.44 111.147 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.89 -34.17 39.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.9 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.87 -53.96 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.067 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.7 mt -52.09 -42.7 63.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 72.3 110.907 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -48.97 77.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 44.25 110.86 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -44.95 82.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 34.12 110.875 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.743 HD12 HD12 ' B' ' 419' ' ' LEU . 0.9 OUTLIER -51.97 -54.16 33.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 52.31 110.898 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.08 -33.94 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 53.33 111.108 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 58.0 m -71.97 -36.85 69.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.818 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.491 HD22 HH11 ' A' ' 351' ' ' ARG . 61.2 mt -69.78 116.29 10.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 63.21 110.916 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -75.23 72.12 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.02 110.898 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -83.12 143.56 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 44.12 111.118 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.3 t -104.91 170.01 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 72.12 111.117 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.65 -37.15 58.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.857 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -51.89 -57.93 7.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 70.25 110.903 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -61.16 -35.5 77.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 70.44 110.96 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.97 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.099 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.32 -38.44 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.25 110.914 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -85.32 -33.45 22.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 71.12 110.936 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -96.39 35.54 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.813 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.76 ' HA ' HD12 ' A' ' 397' ' ' ILE . 1.4 p -61.67 -35.12 77.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 63.35 111.161 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -46.03 87.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 65.31 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.418 ' HE3' HD21 ' A' ' 380' ' ' LEU . 48.4 ttp -55.3 -37.51 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 74.31 110.91 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.804 ' HA ' HD12 ' A' ' 400' ' ' LEU . 5.9 mt -70.26 -42.99 78.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 64.34 111.1 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 85.9 m -54.41 -40.17 67.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 71.25 111.081 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 65.9 m -64.93 -42.3 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 64.32 111.176 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 397' ' ' ILE . 16.1 mt -52.46 -36.19 54.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.924 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -28.84 57.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.05 110.887 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -75.88 -36.0 59.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 71.01 110.886 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 0.986 HG22 HD11 ' B' ' 365' ' ' ILE . 37.3 pt -72.97 -1.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 75.44 111.153 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.89 -34.3 44.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 64.01 110.892 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 -19.4 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.903 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.492 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -40.25 118.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.887 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.87 134.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.921 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.402 HG22 ' HB ' ' A' ' 412' ' ' ILE . 9.9 p -60.6 134.61 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 43.23 111.123 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 22.9 t -69.94 172.38 7.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.88 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -73.68 -34.64 64.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.918 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 411' ' ' VAL . . . . . 0.483 HG22 ' HD2' ' A' ' 415' ' ' LYS . 5.9 p -54.82 -39.76 49.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 73.11 111.118 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.641 HD11 ' HB ' ' B' ' 370' ' ' VAL . 89.2 mt -74.2 -44.52 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.31 111.145 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.2 mtm -61.1 -42.82 99.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 65.12 110.883 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.98 -33.66 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.901 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.483 ' HD2' HG22 ' A' ' 411' ' ' VAL . 26.8 mttp -74.11 -34.85 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 75.21 110.905 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.9 p -62.17 -47.37 84.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 71.33 110.892 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 46.1 m -52.42 -42.9 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 73.02 111.105 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 6.1 tpt -51.69 -52.35 48.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 71.21 110.884 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.778 HD12 HD12 ' B' ' 380' ' ' LEU . 3.5 mm? -69.31 -42.35 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 71.2 110.944 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -55.04 -47.8 74.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 74.23 110.93 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -71.84 -35.67 69.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.92 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -59.02 -45.49 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.914 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.403 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 27.2 m-85 -75.37 -36.16 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -66.69 -35.13 79.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 63.42 110.881 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.68 -35.58 70.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 44.24 110.87 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 53.8 mtm -85.95 -32.66 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.848 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.501 ' HA ' ' HE1' ' B' ' 387' ' ' MET . 3.2 m-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 65.35 110.89 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.889 0.376 . . . . 65.44 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.14 -37.75 62.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 74.02 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -73.4 -35.53 65.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.899 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.33 -37.92 77.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 65.45 110.82 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -74.94 -37.09 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 64.45 110.847 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.628 ' HA ' HD12 ' B' ' 355' ' ' ILE . 29.6 mt -71.51 -47.57 54.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 63.21 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.85 -30.93 64.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.41 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -76.72 -40.86 47.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.42 110.822 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.7 mt -60.51 -40.27 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 75.43 111.124 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -71.88 -50.12 32.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.839 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.1 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 75.04 111.098 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -54.94 -42.26 72.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.929 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.534 HG22 HD12 ' B' ' 363' ' ' LEU . 30.6 mt -65.69 -34.93 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 62.43 111.131 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -58.15 -52.06 67.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 74.3 110.892 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -70.32 -33.61 71.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.2 110.892 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.5 p -74.62 -10.55 59.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.871 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.534 HD12 HG22 ' B' ' 359' ' ' ILE . 32.0 mt -113.5 26.34 10.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 45.15 110.924 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.78 169.82 13.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.912 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 0.986 HD11 HG22 ' A' ' 403' ' ' ILE . 5.8 tp -84.33 -38.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.164 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.87 -31.96 15.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 64.14 110.882 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -109.7 36.3 3.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 65.1 110.909 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' A' ' 406' ' ' PHE . 18.4 tp -53.71 107.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -131.92 80.76 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.869 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.641 ' HB ' HD11 ' A' ' 412' ' ' ILE . 11.5 m -59.12 -27.3 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 64.02 111.13 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -51.72 -40.28 59.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.867 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -34.81 59.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 64.21 110.862 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.422 ' SG ' HG23 ' B' ' 359' ' ' ILE . 12.2 t -53.42 -57.84 9.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 61.02 110.903 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.46 -48.7 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 64.33 111.147 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.79 -35.3 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.495 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.59 -53.54 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 73.15 111.106 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 4.7 mt -52.17 -42.64 63.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.934 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -47.38 84.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 54.03 110.849 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.5 -45.25 85.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 62.51 110.886 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.778 HD12 HD12 ' A' ' 419' ' ' LEU . 0.8 OUTLIER -52.21 -54.46 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.925 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.16 -33.94 65.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 71.22 111.131 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 58.1 m -72.84 -36.57 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 63.33 110.84 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 63.8 mt -70.08 116.52 10.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 71.02 110.915 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -75.63 71.35 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 65.43 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -82.96 142.56 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 70.11 111.158 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.4 t -103.11 170.76 7.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 45.24 111.185 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 387' ' ' MET . . . . . 0.501 ' HE1' ' HA ' ' A' ' 427' ' ' PHE . 0.5 OUTLIER -54.07 -36.95 63.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.31 110.879 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -51.85 -54.68 26.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.94 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.12 -35.99 82.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.48 94.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 62.03 111.104 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.39 -35.98 41.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.928 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -87.29 -33.62 19.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 54.25 110.917 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -98.24 35.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.865 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.777 ' HA ' HD12 ' B' ' 397' ' ' ILE . 1.3 p -61.02 -35.55 77.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 54.13 111.14 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -45.37 86.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.864 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 48.0 ttp -55.43 -38.03 68.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.819 ' HA ' HD12 ' B' ' 400' ' ' LEU . 6.2 mt -69.45 -43.06 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 71.44 111.153 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 85.5 m -54.49 -40.36 68.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 55.43 111.121 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.2 m -64.81 -42.34 95.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 71.54 111.129 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' B' ' 397' ' ' ILE . 16.4 mt -52.49 -36.38 54.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.903 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -28.87 58.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 60.31 110.927 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -75.84 -36.01 59.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.871 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.997 HG22 HD11 ' A' ' 365' ' ' ILE . 37.4 pt -72.89 -1.66 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 52.0 111.182 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -78.85 -34.4 45.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.862 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -19.41 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.882 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.499 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.35 118.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.24 110.859 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -174.99 134.34 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 62.2 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.402 HG22 ' HB ' ' B' ' 412' ' ' ILE . 9.9 p -60.17 134.66 25.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 71.22 111.132 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 22.7 t -70.07 172.19 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 64.22 110.828 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -73.31 -35.13 66.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.953 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 411' ' ' VAL . . . . . 0.484 HG22 ' HD2' ' B' ' 415' ' ' LYS . 6.0 p -54.41 -39.7 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 73.1 111.163 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' A' ' 370' ' ' VAL . 89.4 mt -74.19 -44.57 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 71.34 111.137 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.2 mtm -60.99 -42.66 98.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.872 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.11 -33.77 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.93 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 415' ' ' LYS . . . . . 0.484 ' HD2' HG22 ' B' ' 411' ' ' VAL . 27.0 mttp -74.07 -34.59 64.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.911 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.6 p -62.42 -47.43 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 61.13 110.846 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 47.0 m -52.45 -42.62 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 52.43 111.137 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 6.0 tpt -51.82 -52.3 50.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.891 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.743 HD12 HD12 ' A' ' 380' ' ' LEU . 3.5 mm? -69.47 -42.36 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 43.52 110.873 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -54.95 -48.1 73.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.923 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -71.43 -36.61 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 72.53 110.877 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -58.49 -45.18 89.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 71.45 110.901 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -75.27 -37.19 61.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 54.34 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -65.61 -34.98 79.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 71.03 110.92 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.86 -35.16 68.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.42 110.903 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 54.5 mtm -85.97 -33.39 21.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.908 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.872 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.913 0.387 . . . . 60.3 110.856 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.3 ttm -57.15 -36.68 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 71.15 110.87 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -73.74 -35.65 65.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.24 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -38.34 84.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 64.41 110.861 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -74.71 -33.49 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.887 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.12 -32.86 63.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.887 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.6 -34.72 72.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.923 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -77.32 -36.02 54.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.882 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 31.7 mt -60.99 -43.01 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.11 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -72.59 -45.37 59.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.889 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.07 93.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 63.02 111.068 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.82 -45.09 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 64.34 110.911 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.45 -34.17 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.117 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -52.74 -52.23 57.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 71.35 110.897 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -75.04 -26.66 59.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 61.12 110.846 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.4 p -79.03 -2.73 41.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.51 110.904 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 43.8 mt -121.5 25.86 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 63.44 110.938 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -69.18 169.97 11.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.894 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 1.039 HD11 HG22 ' B' ' 403' ' ' ILE . 6.1 tp -84.32 -39.8 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.13 111.129 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 366' ' ' ASP . . . . . 0.412 ' N ' HG23 ' A' ' 365' ' ' ILE . 5.0 p-10 -92.83 -31.41 15.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.881 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -111.26 36.51 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 65.54 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 21.6 tp -53.28 107.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 61.41 110.905 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -125.71 74.29 1.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 74.15 110.875 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.774 ' HB ' HD11 ' B' ' 412' ' ' ILE . 16.6 m -57.86 -28.59 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 73.32 111.122 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -52.09 -39.96 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 71.21 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -33.23 60.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.871 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 45.7 t -53.1 -58.98 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 70.04 110.883 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.72 -47.48 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 55.44 111.121 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.57 -35.38 41.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.11 110.925 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.0 -53.91 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 74.24 111.112 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 18.4 mt -52.23 -36.03 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.928 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -62.84 -46.08 89.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 44.25 110.897 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -46.4 90.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 34.12 110.902 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.546 ' O ' HD13 ' A' ' 380' ' ' LEU . 1.0 OUTLIER -52.59 -43.89 65.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 52.31 110.913 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -61.66 -34.51 75.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 53.33 111.063 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -36.01 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.853 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 63.5 mt -68.06 109.32 3.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 63.21 110.866 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -77.4 61.64 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.91 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -70.19 140.81 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 44.12 111.137 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -92.89 173.15 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.12 111.146 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -35.51 76.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.843 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -55.12 -56.46 19.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 70.25 110.903 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.43 -39.35 65.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.81 -51.28 68.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.34 111.091 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 391' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 394' ' ' THR . 1.4 mt-30 -52.36 -37.8 57.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 75.25 110.891 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -66.47 -33.98 76.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.892 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -94.91 35.68 1.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 70.14 110.861 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 391' ' ' GLN . 0.7 OUTLIER -51.44 -34.56 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 63.35 111.131 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.57 -48.45 74.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 65.31 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 24.1 ttp -55.28 -56.23 22.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.31 110.884 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.1 mt -52.24 -43.09 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 64.34 111.125 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 56.7 m -55.53 -39.44 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 71.25 111.121 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 90.5 m -68.14 -39.07 82.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 64.32 111.077 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 397' ' ' ILE . 27.4 mt -54.6 -36.95 64.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 73.43 110.866 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -76.64 -28.74 56.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 75.05 110.875 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -75.68 -33.8 60.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.01 110.883 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.017 HG22 HD11 ' B' ' 365' ' ' ILE . 36.4 pt -75.14 -2.27 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 75.44 111.187 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -77.66 -34.07 53.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 64.01 110.869 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.1 -14.31 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.44 110.839 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.65 ' CE2' HD13 ' B' ' 368' ' ' LEU . 11.5 t80 -45.56 108.55 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 75.04 110.876 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -166.31 139.58 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.21 110.901 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 6.1 p -61.21 131.14 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 43.23 111.125 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 16.8 t -61.33 177.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.868 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.22 -40.2 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.913 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.1 -39.87 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.11 111.077 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.696 HD11 ' HB ' ' B' ' 370' ' ' VAL . 96.0 mt -64.25 -54.48 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.31 111.122 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 17.7 ptp -62.3 -31.47 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 65.12 110.892 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -74.95 -37.69 61.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 73.25 110.898 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -73.96 -38.73 64.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.868 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 416' ' ' SER . . . . . 0.402 ' HB2' HD11 ' B' ' 403' ' ' ILE . 63.2 p -55.08 -48.76 73.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.856 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 417' ' ' THR . . . . . 0.596 HG22 ' OD1' ' A' ' 421' ' ' ASN . 57.9 m -52.81 -42.67 65.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 73.02 111.152 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -51.08 64.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 71.21 110.819 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.91 -36.91 72.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -60.08 -42.7 95.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.927 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.596 ' OD1' HG22 ' A' ' 417' ' ' THR . 23.2 m120 -72.25 -41.41 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 73.14 110.921 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.65 -51.59 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.884 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -69.7 -36.83 76.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -60.42 -40.82 92.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -58.41 -34.45 70.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 44.24 110.934 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 38.2 mtm -85.47 -34.71 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.876 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.537 ' CZ ' HD13 ' B' ' 397' ' ' ILE . 2.8 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.888 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.887 0.375 . . . . 65.44 110.865 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.3 ttm -56.67 -36.89 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 74.02 110.911 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -73.66 -34.86 65.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 75.42 110.823 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -38.5 80.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 65.45 110.829 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -74.28 -34.78 63.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 64.45 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.53 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.0 OUTLIER -70.64 -47.44 60.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 63.21 110.868 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -59.0 -30.41 67.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 64.41 110.886 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -76.14 -42.03 48.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.42 110.931 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.9 mt -59.71 -39.33 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.43 111.116 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -72.09 -50.76 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.846 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.08 88.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.04 111.11 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.89 -44.05 73.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.888 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.3 mt -68.69 -34.53 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 62.43 111.181 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -51.8 -52.05 51.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.3 110.876 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -75.07 -26.83 59.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.847 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -77.5 -4.01 43.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.842 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 53.9 mt -121.2 25.92 9.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 45.15 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.04 170.42 8.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.902 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.017 HD11 HG22 ' A' ' 403' ' ' ILE . 6.1 tp -84.98 -39.53 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.146 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.404 ' N ' HG23 ' B' ' 365' ' ' ILE . 4.9 p-10 -93.01 -31.33 14.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 64.14 110.863 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -111.48 36.67 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 65.1 110.891 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.65 HD13 ' CE2' ' A' ' 406' ' ' PHE . 20.6 tp -53.12 107.11 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 73.24 110.915 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -126.8 77.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.878 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.696 ' HB ' HD11 ' A' ' 412' ' ' ILE . 8.1 m -59.99 -27.04 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.02 111.091 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -51.87 -39.97 59.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.879 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -33.25 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 64.21 110.872 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 47.6 t -53.19 -59.11 4.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 61.02 110.864 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.8 mt -53.73 -47.13 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 64.33 111.191 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.88 -35.65 45.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 75.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.502 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.89 -53.55 7.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 73.15 111.074 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.1 -35.82 49.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.49 -42.7 95.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 54.03 110.886 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -47.89 80.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 62.51 110.896 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.501 HD13 ' O ' ' B' ' 380' ' ' LEU . 0.8 OUTLIER -52.4 -45.85 66.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 72.31 110.9 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.66 72.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 71.22 111.086 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -36.21 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 63.33 110.859 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.14 109.4 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 71.02 110.922 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -77.37 61.85 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 65.43 110.91 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -70.34 140.31 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 70.11 111.149 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -92.25 173.1 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 45.24 111.117 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -35.72 77.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.847 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -55.06 -55.89 25.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.91 -38.27 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.919 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.58 -51.1 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 62.03 111.082 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 391' ' ' GLN . . . . . 0.58 ' O ' HG23 ' B' ' 394' ' ' THR . 1.4 mt-30 -52.7 -36.62 57.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 71.43 110.883 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -66.58 -34.98 79.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 54.25 110.891 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -95.09 35.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.872 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.58 HG23 ' O ' ' B' ' 391' ' ' GLN . 0.7 OUTLIER -51.73 -34.86 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 54.13 111.12 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.42 -47.09 76.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.34 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 26.6 ttp -55.9 -56.64 18.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.859 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.78 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.0 mt -51.81 -43.11 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 71.44 111.114 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 56.1 m -55.43 -38.17 68.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 55.43 111.128 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 89.5 m -69.62 -39.58 77.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 71.54 111.128 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.78 HD12 ' HA ' ' B' ' 397' ' ' ILE . 22.9 mt -53.99 -36.15 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.953 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -76.53 -29.07 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 60.31 110.885 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -75.48 -34.42 60.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.14 110.944 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 1.039 HG22 HD11 ' A' ' 365' ' ' ILE . 38.9 pt -74.92 -1.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 52.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -82.55 -32.3 28.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 71.35 110.871 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.88 -20.2 8.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 65.42 110.925 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.466 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -41.57 118.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 70.24 110.89 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -175.28 140.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 62.2 110.921 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.93 127.66 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 71.22 111.124 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 14.8 t -58.45 170.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 64.22 110.819 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.03 -35.3 76.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 73.33 110.887 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.5 p -60.04 -39.71 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.1 111.093 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.774 HD11 ' HB ' ' A' ' 370' ' ' VAL . 80.9 mt -64.2 -54.13 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.34 111.097 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.2 ptp -64.61 -31.62 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.878 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.39 -40.52 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.867 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -72.78 -38.35 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.903 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 416' ' ' SER . . . . . 0.434 ' HB2' HD11 ' A' ' 403' ' ' ILE . 60.7 p -55.09 -49.67 71.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 61.13 110.871 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 90.6 m -52.68 -42.5 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 52.43 111.136 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -51.99 61.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 74.22 110.894 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 66.4 mt -69.99 -38.29 75.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 43.52 110.921 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -57.99 -44.57 87.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 75.05 110.939 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.01 -41.01 71.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 72.53 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -51.04 64.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.863 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -70.99 -37.07 72.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 54.34 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -59.87 -40.66 89.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 71.03 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -58.43 -34.41 70.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 62.42 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.4 mtm -85.99 -33.97 20.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.861 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 427' ' ' PHE . . . . . 0.603 ' CZ ' HD13 ' A' ' 397' ' ' ILE . 2.9 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 71.21 110.874 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.838 0.351 . . . . 60.3 110.845 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -39.05 64.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 71.15 110.898 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.34 -34.72 65.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.903 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 8.6 t -66.47 -39.7 88.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 64.41 110.871 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -33.36 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.904 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.609 HD23 ' CG ' ' A' ' 393' ' ' HIS . 0.9 OUTLIER -70.45 -47.64 59.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 73.52 110.876 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -57.6 -30.94 65.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.902 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -77.43 -42.15 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.889 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.525 HG23 ' HB1' ' A' ' 376' ' ' ALA . 19.3 mt -59.41 -41.67 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.079 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -72.09 -49.15 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 71.44 110.865 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.45 93.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 63.02 111.103 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.82 -54.03 47.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 64.34 110.842 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.413 HG22 HD12 ' A' ' 363' ' ' LEU . 44.1 mt -56.26 -33.81 38.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.32 111.112 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -61.91 -52.21 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.877 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.69 -31.19 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 61.12 110.901 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 16.3 m -74.48 -26.72 60.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 73.51 110.854 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.413 HD12 HG22 ' A' ' 359' ' ' ILE . 21.2 mt -93.96 26.71 3.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.936 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.98 171.03 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.869 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 0.947 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.43 -39.14 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.13 111.143 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -92.17 -32.09 15.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 72.25 110.856 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -105.96 36.33 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 65.54 110.876 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' B' ' 406' ' ' PHE . 17.5 tp -55.96 107.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 61.41 110.946 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.83 75.68 1.59 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.239 -0.437 . . . . 74.15 110.848 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.544 ' O ' HD12 ' A' ' 374' ' ' ILE . 5.9 m -51.56 -28.95 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 73.32 111.152 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -51.75 -38.29 54.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 71.21 110.884 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -76.11 -35.33 59.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.85 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.401 ' SG ' HG23 ' A' ' 359' ' ' ILE . 25.9 t -54.84 -59.51 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 70.04 110.851 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 374' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 370' ' ' VAL . 2.7 mp -53.28 -46.16 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 55.44 111.131 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.77 -36.66 48.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 74.11 110.935 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.525 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -77.09 -51.51 10.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 74.24 111.096 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.41 HD11 HG23 ' B' ' 412' ' ' ILE . 22.1 mt -51.88 -35.42 45.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 72.3 110.92 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -61.7 -46.67 88.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 44.25 110.875 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -61.86 -47.28 85.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 34.12 110.84 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.786 HD12 HD22 ' B' ' 419' ' ' LEU . 1.5 tm? -52.41 -45.15 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 52.31 110.935 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -64.0 -34.66 78.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 53.33 111.106 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -36.28 63.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 74.33 110.863 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.44 116.1 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 63.21 110.911 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.21 62.48 2.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 74.02 110.903 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.26 138.81 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 44.12 111.133 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -98.85 173.82 6.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 72.12 111.126 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.19 -38.37 79.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 74.23 110.919 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -55.18 -56.96 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 70.25 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -67.07 -38.82 86.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.928 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.98 -45.11 91.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 73.34 111.114 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 391' ' ' GLN . . . . . 0.593 ' O ' HG23 ' A' ' 394' ' ' THR . 3.1 mt-30 -51.84 -36.13 47.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.876 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -75.76 -35.67 60.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.912 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.609 ' CG ' HD23 ' A' ' 352' ' ' LEU . 75.9 m80 -95.5 35.51 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 70.14 110.904 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.804 ' HA ' HD12 ' A' ' 397' ' ' ILE . 2.8 p -56.8 -36.66 70.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 63.35 111.217 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -46.89 81.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 65.31 110.896 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -55.43 -36.1 66.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.882 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 394' ' ' THR . 10.1 mt -69.97 -39.89 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 64.34 111.14 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 55.3 m -58.51 -42.82 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 71.25 111.167 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -61.96 -38.46 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 64.32 111.153 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 397' ' ' ILE . 21.4 mt -56.79 -35.89 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.937 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -76.09 -28.59 57.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.908 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -75.47 -35.6 60.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 71.01 110.856 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 0.972 HG22 HD11 ' B' ' 365' ' ' ILE . 35.5 pt -73.29 -1.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.44 111.146 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -79.0 -34.43 44.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 64.01 110.867 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.14 -18.81 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.867 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.486 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.2 OUTLIER -40.8 118.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.04 110.865 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -174.56 135.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.917 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.49 132.86 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 43.23 111.11 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 30.1 t -69.7 172.77 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.886 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.25 -33.74 65.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 74.23 110.918 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 411' ' ' VAL . . . . . 0.409 HG13 HG13 ' A' ' 412' ' ' ILE . 4.3 p -53.13 -41.81 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.11 111.122 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.446 HD11 ' HB ' ' B' ' 370' ' ' VAL . 96.6 mt -73.72 -48.87 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 74.31 111.176 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 12.7 mtm -56.14 -34.23 65.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 65.12 110.883 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.16 -53.13 13.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.931 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -59.93 -40.95 90.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.907 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 93.1 p -54.94 -43.34 73.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.905 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 16.9 m -59.25 -52.78 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 73.02 111.185 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -42.5 41.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.904 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.718 HD22 HD12 ' B' ' 380' ' ' LEU . 55.2 mt -75.35 -35.15 61.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.901 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -58.92 -63.28 1.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.959 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -61.15 -33.39 73.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.14 110.893 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -53.06 -45.77 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.905 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.509 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 47.7 m-85 -75.36 -49.91 17.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 74.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -52.08 -37.99 55.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 63.42 110.894 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -51.9 -35.45 45.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 44.24 110.856 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 57.0 mtm -85.39 -35.27 21.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.856 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 65.35 110.913 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.84 0.353 . . . . 65.44 110.78 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -37.14 61.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 74.02 110.862 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.99 -33.4 63.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 8.5 t -68.85 -37.25 79.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 65.45 110.845 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -32.49 57.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 64.45 110.886 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.51 HD23 ' CG ' ' B' ' 393' ' ' HIS . 1.0 OUTLIER -74.24 -41.38 61.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 63.21 110.891 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -63.1 -36.05 82.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 64.41 110.908 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -76.97 -36.32 56.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.838 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.465 HG23 ' HB1' ' B' ' 376' ' ' ALA . 28.7 mt -63.14 -42.61 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.43 111.121 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -72.09 -43.89 64.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.86 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 75.04 111.071 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.05 -52.19 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 74.45 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.434 HG22 HD12 ' B' ' 363' ' ' LEU . 42.0 mt -57.89 -33.61 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 62.43 111.155 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -62.27 -52.27 64.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 74.3 110.944 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.93 -31.3 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 15.8 m -74.6 -26.78 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.843 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.434 HD12 HG22 ' B' ' 359' ' ' ILE . 21.4 mt -93.73 26.67 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 45.15 110.91 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.13 171.05 7.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.887 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 0.972 HD11 HG22 ' A' ' 403' ' ' ILE . 5.7 tp -84.41 -38.92 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.112 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.53 -31.98 15.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 64.14 110.844 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -105.85 36.42 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 65.1 110.909 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 406' ' ' PHE . 17.5 tp -56.11 107.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.914 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.95 75.62 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.845 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.538 ' O ' HD12 ' B' ' 374' ' ' ILE . 6.2 m -51.51 -29.13 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 64.02 111.1 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -51.63 -38.29 54.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.909 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -76.13 -35.46 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 64.21 110.878 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.415 ' SG ' HG23 ' B' ' 359' ' ' ILE . 29.5 t -54.55 -59.02 5.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 61.02 110.895 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.538 HD12 ' O ' ' B' ' 370' ' ' VAL . 2.7 mp -53.41 -44.81 56.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 64.33 111.147 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.96 -37.28 52.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.465 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.99 -51.01 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.15 111.124 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 19.8 mt -52.07 -35.52 47.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.93 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -63.03 -46.66 86.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 54.03 110.924 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -61.03 -47.23 87.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 62.51 110.9 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.718 HD12 HD22 ' A' ' 419' ' ' LEU . 1.2 tm? -52.61 -49.2 65.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 72.31 110.887 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.88 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.081 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -36.62 63.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 63.33 110.821 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.28 116.66 6.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 71.02 110.895 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.97 61.16 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 65.43 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.34 138.38 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.11 111.121 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -98.2 173.82 6.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 45.24 111.134 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.25 -38.41 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.31 110.887 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -55.19 -56.56 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.97 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -67.22 -38.44 85.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.945 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.38 -44.86 92.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 62.03 111.089 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 391' ' ' GLN . . . . . 0.593 ' O ' HG23 ' B' ' 394' ' ' THR . 3.2 mt-30 -51.77 -36.0 45.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.922 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -75.87 -35.91 59.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 54.25 110.912 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 393' ' ' HIS . . . . . 0.51 ' CG ' HD23 ' B' ' 352' ' ' LEU . 74.3 m80 -95.57 35.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.855 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.811 ' HA ' HD12 ' B' ' 397' ' ' ILE . 3.0 p -57.02 -35.69 69.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 54.13 111.131 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.51 -46.35 83.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.92 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -55.8 -36.2 67.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 75.43 110.885 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' B' ' 394' ' ' THR . 9.6 mt -69.68 -39.85 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 71.44 111.141 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 52.6 m -59.47 -41.53 89.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 55.43 111.116 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.7 m -63.51 -36.1 82.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 71.54 111.126 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' B' ' 397' ' ' ILE . 27.6 mt -58.95 -36.05 74.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.908 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -75.95 -28.82 58.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 60.31 110.871 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -74.89 -35.97 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 72.14 110.882 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.947 HG22 HD11 ' A' ' 365' ' ' ILE . 33.6 pt -73.38 -1.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 52.0 111.159 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -79.22 -34.37 42.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.83 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.11 -18.78 7.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 65.42 110.842 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.504 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.2 OUTLIER -40.9 119.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 70.24 110.935 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -174.63 135.77 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 62.2 110.879 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 13.5 p -62.58 132.45 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 71.22 111.112 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 31.4 t -69.12 172.65 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 64.22 110.834 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.29 -33.8 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 73.33 110.892 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 411' ' ' VAL . . . . . 0.406 HG13 HG13 ' B' ' 412' ' ' ILE . 4.4 p -53.13 -41.66 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 73.1 111.142 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.445 HD11 ' HB ' ' A' ' 370' ' ' VAL . 96.9 mt -73.71 -48.55 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 71.34 111.116 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.6 mtm -56.68 -33.8 66.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.813 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.63 -52.53 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.848 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -60.47 -39.21 86.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.889 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 79.1 p -54.96 -47.3 74.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 61.13 110.847 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 32.4 m -57.09 -49.47 75.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 52.43 111.167 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -43.32 60.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.848 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.786 HD22 HD12 ' A' ' 380' ' ' LEU . 54.1 mt -74.43 -40.38 61.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 43.52 110.915 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -59.41 -58.01 10.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.887 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.09 -35.23 74.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 72.53 110.852 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -56.95 -51.52 68.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.45 110.878 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 49.1 m-85 -65.28 -51.23 62.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 54.34 110.869 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -52.21 -37.59 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 71.03 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -52.4 -35.36 51.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 62.42 110.894 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 56.3 mtm -85.5 -35.47 21.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.87 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 71.21 110.846 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.853 0.358 . . . . 60.3 110.849 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -36.07 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.15 110.863 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.79 -46.72 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.884 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 14.6 t -60.11 -39.05 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 64.41 110.861 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -75.26 -33.95 61.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.87 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.631 HD23 HD12 ' A' ' 355' ' ' ILE . 10.9 mt -69.07 -47.86 64.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.924 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -26.56 43.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.33 110.913 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -76.97 -38.12 53.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.875 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.631 HD12 HD23 ' A' ' 352' ' ' LEU . 56.5 mt -61.92 -41.52 91.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.129 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -71.82 -42.79 66.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.851 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.36 -44.67 86.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 63.02 111.122 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -55.15 -50.67 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.424 HG22 HD12 ' A' ' 363' ' ' LEU . 43.0 mt -57.29 -35.36 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 73.32 111.108 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -47.28 83.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.897 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -75.73 -30.57 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 61.12 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.7 p -78.03 -3.06 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.833 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.424 HD12 HG22 ' A' ' 359' ' ' ILE . 51.8 mt -121.45 26.03 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 63.44 110.855 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 170.67 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.885 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 1.048 HD11 HG22 ' B' ' 403' ' ' ILE . 5.9 tp -84.52 -41.0 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 75.13 111.127 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 366' ' ' ASP . . . . . 0.431 ' N ' HG23 ' A' ' 365' ' ' ILE . 4.8 p-10 -92.16 -32.36 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.851 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -109.88 36.34 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 65.54 110.889 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.531 HD13 ' CD2' ' B' ' 406' ' ' PHE . 17.3 tp -53.51 107.61 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 61.41 110.908 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -123.64 69.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.869 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.684 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.8 m -52.38 -30.06 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 73.32 111.117 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -52.21 -42.06 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.877 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -35.56 59.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.872 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' A' ' 359' ' ' ILE . 42.4 t -53.96 -37.18 63.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 70.04 110.884 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.1 mt -73.76 -50.24 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 55.44 111.125 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.53 -34.51 36.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.937 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.425 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.65 -53.8 7.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.109 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 70.5 mt -52.03 -43.87 63.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 72.3 110.882 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -63.24 -35.01 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 44.25 110.875 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.96 -46.21 82.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 34.12 110.884 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.541 HD12 HD22 ' B' ' 419' ' ' LEU . 3.4 tm? -51.39 -53.19 39.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 52.31 110.92 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.667 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -55.93 -24.97 41.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 53.33 111.099 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.25 26.79 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.88 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.583 HD11 ' CD1' ' A' ' 355' ' ' ILE . 22.4 mt -111.66 -30.67 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 63.21 110.877 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 49.99 50.26 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.872 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.73 147.3 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 44.12 111.106 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -82.63 173.9 11.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 72.12 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 4.3 ttt -64.16 -38.09 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.855 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -55.15 -55.54 30.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 70.25 110.968 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -72.75 -35.69 67.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.899 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.66 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 73.34 111.092 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 391' ' ' GLN . . . . . 0.554 ' O ' HG23 ' A' ' 394' ' ' THR . 18.5 mt-30 -51.6 -51.54 54.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.931 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -51.97 -33.95 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 71.12 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -95.15 35.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 70.14 110.854 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.764 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.6 OUTLIER -57.49 -35.22 69.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 63.35 111.119 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.84 -44.18 90.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 65.31 110.904 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 49.1 ttp -55.35 -44.88 76.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.922 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.764 HD12 ' HA ' ' A' ' 394' ' ' THR . 5.7 mt -60.73 -42.01 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 64.34 111.154 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 7.3 m -54.99 -37.04 66.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 71.25 111.181 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.8 m -70.28 -35.42 73.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.32 111.138 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 397' ' ' ILE . 22.4 mt -60.95 -36.24 78.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.903 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -28.78 56.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.05 110.886 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -75.91 -35.42 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 71.01 110.875 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.031 HG22 HD11 ' B' ' 365' ' ' ILE . 41.0 pt -73.11 -1.88 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 75.44 111.138 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -33.63 45.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 64.01 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -20.48 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.874 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.562 ' HE1' HG13 ' B' ' 408' ' ' VAL . 0.7 OUTLIER -42.43 113.67 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.04 110.873 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 31.6 pttt -175.63 133.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.564 HG13 ' HE1' ' B' ' 406' ' ' PHE . 2.2 m -51.9 145.94 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 43.23 111.096 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 40.7 t -87.87 157.32 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 74.43 110.882 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -52.24 -35.65 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 74.23 110.879 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -58.84 -40.0 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 73.11 111.117 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.617 HD11 ' HB ' ' B' ' 370' ' ' VAL . 80.1 mt -73.25 -50.68 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.31 111.093 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 11.5 mtm -60.06 -32.35 70.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 65.12 110.919 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -75.68 -45.72 35.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -65.03 -34.83 79.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 75.21 110.91 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.8 p -58.99 -52.27 66.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 71.33 110.842 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 65.1 m -52.47 -43.64 65.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 73.02 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -51.93 -49.06 63.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.895 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.587 HD22 HD12 ' B' ' 380' ' ' LEU . 50.4 mt -73.57 -38.39 65.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 71.2 110.911 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -57.02 -51.77 67.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.938 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -66.48 -36.22 82.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.91 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -54.97 -49.54 71.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.922 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -74.43 -36.11 63.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -57.18 -50.72 71.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 63.42 110.926 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.75 -39.24 65.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 44.24 110.913 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 10.0 mtm -75.2 -35.12 61.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.876 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.44 ' HE2' HG22 ' B' ' 394' ' ' THR . 3.6 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 65.35 110.89 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.925 0.393 . . . . 65.44 110.872 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -36.34 60.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 74.02 110.854 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.25 -45.54 55.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.42 110.878 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 14.8 t -61.32 -39.54 90.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 65.45 110.852 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -75.36 -34.13 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 64.45 110.899 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.573 ' HA ' HD12 ' B' ' 355' ' ' ILE . 12.6 mt -70.8 -48.28 55.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 63.21 110.923 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -26.19 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.897 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -76.87 -37.4 55.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 71.42 110.849 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' B' ' 352' ' ' LEU . 43.3 mt -62.87 -41.01 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.43 111.139 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -70.79 -40.86 72.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.874 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.24 -44.21 76.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.095 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -55.35 -50.2 70.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 74.45 110.895 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.404 HG22 HD12 ' B' ' 363' ' ' LEU . 42.4 mt -57.68 -35.37 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 62.43 111.093 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -46.99 83.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.841 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -75.73 -30.82 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 75.2 110.908 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 7.3 p -77.81 -3.16 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.875 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.425 HD21 ' SG ' ' B' ' 373' ' ' CYS . 53.8 mt -121.35 25.9 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 45.15 110.904 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 170.89 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.861 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.031 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.69 -40.86 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.33 111.116 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.428 ' N ' HG23 ' B' ' 365' ' ' ILE . 4.9 p-10 -92.46 -32.38 14.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 64.14 110.852 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -109.66 36.2 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 65.1 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.543 HD13 ' CD2' ' A' ' 406' ' ' PHE . 16.9 tp -53.5 107.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.916 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -123.29 69.37 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.843 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.617 ' HB ' HD11 ' A' ' 412' ' ' ILE . 7.4 m -52.02 -30.49 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 64.02 111.122 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -52.25 -42.19 63.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -35.52 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 64.21 110.868 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.425 ' SG ' HD21 ' B' ' 363' ' ' LEU . 43.1 t -53.63 -38.03 63.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.86 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.0 mt -73.11 -49.23 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 64.33 111.117 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.9 -35.49 45.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.499 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.64 -53.79 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 73.15 111.089 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 70.9 mt -52.21 -42.96 63.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 72.3 110.931 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.19 -35.83 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 54.03 110.848 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -45.66 89.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 62.51 110.883 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.587 HD12 HD22 ' A' ' 419' ' ' LEU . 3.2 tm? -52.88 -52.14 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.878 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 381' ' ' ALA . . . . . 0.546 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -54.96 -33.23 62.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 71.22 111.084 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -28.75 64.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 63.33 110.807 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 41.3 mt -91.05 95.17 9.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 71.02 110.9 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -70.7 76.28 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 65.43 110.891 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 385' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 386' ' ' THR . 3.5 p -78.49 142.41 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 70.11 111.123 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 386' ' ' THR . . . . . 0.4 ' O ' HG22 ' B' ' 385' ' ' VAL . 14.7 t -80.44 174.1 11.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 45.24 111.127 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.2 ttt -63.57 -37.78 88.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.817 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -55.3 -54.58 41.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.923 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -73.85 -35.93 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.12 110.859 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.44 92.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 62.03 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 391' ' ' GLN . . . . . 0.551 ' O ' HG23 ' B' ' 394' ' ' THR . 18.3 mt-30 -51.84 -50.5 60.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 71.43 110.912 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -52.52 -34.41 49.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 54.25 110.88 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -95.08 35.52 1.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.828 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.668 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.6 OUTLIER -56.8 -35.34 68.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 54.13 111.142 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.88 -42.44 89.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.897 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 43.5 ttp -55.43 -48.02 75.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 75.43 110.901 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.798 ' HA ' HD12 ' B' ' 400' ' ' LEU . 5.8 mt -58.37 -41.93 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 71.44 111.109 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 7.4 m -54.45 -37.32 65.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 55.43 111.128 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 89.4 m -71.27 -36.87 71.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 71.54 111.133 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' B' ' 397' ' ' ILE . 21.5 mt -59.83 -35.63 75.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.11 110.889 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -28.89 55.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 60.31 110.917 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -76.01 -35.2 59.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 72.14 110.887 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 1.048 HG22 HD11 ' A' ' 365' ' ' ILE . 41.0 pt -73.06 -1.83 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 52.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -33.66 44.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 71.35 110.888 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.75 -20.36 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 65.42 110.849 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.564 ' HE1' HG13 ' A' ' 408' ' ' VAL . 0.7 OUTLIER -42.59 113.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 70.24 110.868 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -175.52 133.75 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 62.2 110.888 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.562 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.0 m -51.69 146.24 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 71.22 111.129 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.6 t -88.29 157.0 18.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.842 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -51.97 -35.55 46.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 73.33 110.887 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 411' ' ' VAL . . . . . 0.4 HG13 HG13 ' B' ' 412' ' ' ILE . 6.3 p -59.04 -39.84 79.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 73.1 111.158 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.684 HD11 ' HB ' ' A' ' 370' ' ' VAL . 81.4 mt -73.14 -50.64 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 71.34 111.157 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.5 mtm -60.05 -32.75 71.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 75.13 110.86 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -75.23 -45.99 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.895 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -64.93 -34.29 78.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -59.65 -51.41 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 61.13 110.895 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 63.7 m -52.55 -43.55 65.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 52.43 111.154 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.0 tpt -51.6 -51.27 56.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.905 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 381' ' ' ALA . 52.3 mt -72.02 -37.59 69.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 43.52 110.922 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -56.9 -52.95 63.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 75.05 110.887 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -66.79 -37.2 84.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.53 110.866 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -53.36 -49.35 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 71.45 110.868 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -74.74 -35.93 62.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 54.34 110.84 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -57.69 -50.51 72.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 71.03 110.905 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -39.66 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 62.42 110.87 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -75.05 -35.2 61.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.851 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 427' ' ' PHE . . . . . 0.471 ' HE2' HG22 ' A' ' 394' ' ' THR . 3.6 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 71.21 110.904 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 27.9 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.879 0.371 . . . . 60.3 110.901 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -36.76 64.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 71.15 110.907 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.37 -40.74 64.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.865 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -63.62 -37.95 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.865 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 351' ' ' ARG . . . . . 0.613 HH11 HD22 ' A' ' 383' ' ' LEU . 8.2 ptp180 -76.34 -33.43 58.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 74.54 110.869 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.521 HD22 ' HE3' ' A' ' 396' ' ' MET . 23.7 mt -75.97 -32.02 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.92 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.09 -32.48 67.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.891 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -78.28 -38.49 42.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 75.43 110.873 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.403 HG23 ' HB1' ' A' ' 376' ' ' ALA . 45.9 mt -65.18 -38.12 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 73.14 111.143 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -72.86 -43.37 62.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.892 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.77 78.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 63.02 111.131 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.55 -42.67 71.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 64.34 110.883 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 29.4 mt -68.22 -31.88 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.109 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -61.92 -52.32 64.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 71.35 110.927 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -71.17 -29.05 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 61.12 110.925 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 71.8 m -75.48 -26.9 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 73.51 110.857 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 35.8 mt -95.1 26.67 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 63.44 110.918 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.36 168.83 13.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.901 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 0.886 HD11 HG22 ' B' ' 403' ' ' ILE . 5.2 tp -84.66 -37.87 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 75.13 111.143 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -90.46 -33.74 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 72.25 110.917 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.64 36.62 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 65.54 110.905 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' B' ' 406' ' ' PHE . 14.9 tp -56.47 107.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 61.41 110.906 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -132.97 75.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.15 110.865 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.641 ' HB ' HD11 ' B' ' 412' ' ' ILE . 14.0 m -51.07 -28.89 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.115 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -51.7 -38.47 55.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.915 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -76.29 -35.55 58.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.858 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 18.0 t -53.4 -58.84 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 70.04 110.836 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.42 -47.07 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 55.44 111.141 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.97 -34.86 44.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.903 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.403 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.24 -52.7 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 74.24 111.117 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.63 HD23 ' CB ' ' B' ' 415' ' ' LYS . 2.9 mp -52.01 -34.83 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 72.3 110.902 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -58.58 -49.41 77.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 44.25 110.937 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.19 -50.14 74.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 34.12 110.93 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.649 ' O ' HD13 ' A' ' 380' ' ' LEU . 1.5 tm? -51.69 -37.19 49.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 52.31 110.962 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.12 72.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 53.33 111.084 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 23.0 t -76.52 -35.67 58.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.847 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.613 HD22 HH11 ' A' ' 351' ' ' ARG . 82.7 mt -69.1 109.81 4.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 63.21 110.898 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.25 60.14 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 74.02 110.917 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.63 138.81 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 44.12 111.102 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -94.0 171.67 8.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 72.12 111.103 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -35.35 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.887 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.91 -59.23 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 70.25 110.893 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.24 -36.02 80.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 70.44 110.935 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.8 -47.23 86.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.093 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 391' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 394' ' ' THR . 28.5 mt-30 -51.69 -37.07 49.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.891 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -35.23 68.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 71.12 110.941 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -95.43 35.52 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 70.14 110.805 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.451 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.7 OUTLIER -51.44 -35.18 38.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 63.35 111.162 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.55 -43.81 93.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 65.31 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.521 ' HE3' HD22 ' A' ' 352' ' ' LEU . 42.3 ttp -55.33 -47.18 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.875 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.707 ' HA ' HD12 ' A' ' 400' ' ' LEU . 2.9 mt -61.11 -42.3 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 64.34 111.161 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 9.4 m -54.12 -43.84 70.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 71.25 111.137 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -62.89 -45.3 93.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 64.32 111.133 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 397' ' ' ILE . 25.0 mt -51.87 -38.43 56.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 73.43 110.914 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -76.81 -28.23 55.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 75.05 110.896 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -75.89 -35.94 59.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 71.01 110.895 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 0.896 HG22 HD11 ' B' ' 365' ' ' ILE . 35.9 pt -72.0 -4.65 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 75.44 111.146 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -37.68 56.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 64.01 110.832 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.05 24.39 8.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.873 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.608 ' CD1' HD13 ' B' ' 368' ' ' LEU . 1.7 t80 -82.55 117.97 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.04 110.889 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -172.54 149.39 2.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.932 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.51 133.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 43.23 111.138 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.2 t -67.42 169.88 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.859 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.3 -34.08 67.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.954 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 411' ' ' VAL . . . . . 0.433 HG13 HG13 ' A' ' 412' ' ' ILE . 5.2 p -53.16 -41.33 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 73.11 111.103 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.503 HD11 ' HB ' ' B' ' 370' ' ' VAL . 89.9 mt -73.71 -51.01 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.31 111.136 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 16.6 mtm -55.74 -33.6 64.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 65.12 110.854 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.16 -51.12 16.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 73.25 110.906 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.683 ' CB ' HD23 ' B' ' 377' ' ' LEU . 16.8 mttm -60.58 -40.1 90.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.942 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 87.2 p -55.11 -45.46 75.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.877 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 33.2 m -57.87 -49.2 77.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.02 111.094 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttp -51.75 -42.54 62.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 71.21 110.877 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.641 HD22 HD12 ' B' ' 380' ' ' LEU . 62.1 mt -74.3 -43.21 57.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.944 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -55.19 -53.86 50.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -58.49 -35.89 72.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 73.14 110.874 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -54.91 -51.1 67.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.877 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.607 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 90.4 m-85 -74.23 -38.4 63.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -58.61 -44.84 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 63.42 110.95 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -59.94 -36.07 76.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 44.24 110.855 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 37.8 mtm -76.3 -35.17 58.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.843 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 65.35 110.873 -179.902 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.872 0.368 . . . . 65.44 110.828 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -37.33 63.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.02 110.891 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.99 -36.21 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -68.24 -38.13 81.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 65.45 110.833 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -75.56 -36.93 60.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 64.45 110.883 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.522 HD22 ' HE1' ' B' ' 396' ' ' MET . 31.2 mt -71.71 -47.77 51.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 63.21 110.897 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -57.83 -30.48 65.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 64.41 110.957 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -76.92 -43.18 36.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.583 HG23 ' HB1' ' B' ' 376' ' ' ALA . 22.5 mt -61.82 -36.7 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 75.43 111.14 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -71.94 -50.51 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.826 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.16 93.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 75.04 111.072 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -54.66 -45.14 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.403 HG23 ' SG ' ' B' ' 373' ' ' CYS . 35.8 mt -66.2 -33.28 62.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 62.43 111.147 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -52.15 66.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.885 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -71.61 -26.87 62.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.4 m -76.14 -28.8 57.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 71.21 110.849 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 39.3 mt -94.58 26.53 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 45.15 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.77 169.77 9.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.892 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 0.896 HD11 HG22 ' A' ' 403' ' ' ILE . 4.5 tp -84.8 -39.12 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.33 111.138 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -90.3 -33.35 16.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.842 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -107.91 36.76 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 65.1 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.608 HD13 ' CD1' ' A' ' 406' ' ' PHE . 12.5 tp -56.68 107.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 73.24 110.9 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -135.16 78.74 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.857 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.503 ' HB ' HD11 ' A' ' 412' ' ' ILE . 4.9 m -52.84 -27.79 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 64.02 111.13 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.69 -38.69 56.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.87 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -76.1 -35.56 59.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 64.21 110.832 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.403 ' SG ' HG23 ' B' ' 359' ' ' ILE . 14.1 t -53.46 -59.16 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 61.02 110.886 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.402 HD12 ' O ' ' B' ' 370' ' ' VAL . 3.1 mt -53.34 -46.1 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 64.33 111.147 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.81 -35.86 45.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 75.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.583 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.83 -50.8 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 73.15 111.142 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 377' ' ' LEU . . . . . 0.683 HD23 ' CB ' ' A' ' 415' ' ' LYS . 2.9 mp -52.24 -35.47 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.913 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.78 -48.99 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 54.03 110.863 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -59.08 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 62.51 110.861 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.641 HD12 HD22 ' A' ' 419' ' ' LEU . 1.5 tm? -52.05 -39.66 59.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.927 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.32 77.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 71.22 111.118 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 23.0 t -76.05 -35.78 59.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 63.33 110.821 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.59 110.19 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 71.02 110.889 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.65 60.02 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 65.43 110.931 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.39 138.89 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 70.11 111.115 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -93.64 171.97 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 45.24 111.105 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -35.69 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 75.31 110.863 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.45 -59.06 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.923 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.34 -36.29 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.47 -46.46 88.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 62.03 111.092 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -51.97 -35.81 47.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 71.43 110.925 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -35.84 65.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 54.25 110.905 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -96.05 35.59 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.828 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.49 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.7 OUTLIER -53.11 -35.5 59.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 54.13 111.133 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.94 -39.67 82.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 74.34 110.859 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 396' ' ' MET . . . . . 0.522 ' HE1' HD22 ' B' ' 352' ' ' LEU . 43.0 ttp -58.51 -47.08 85.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.871 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.737 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.1 mt -62.92 -40.01 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.44 111.166 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 9.1 m -54.36 -40.34 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 55.43 111.153 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.7 m -68.11 -42.69 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 71.54 111.124 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' B' ' 397' ' ' ILE . 45.8 mt -51.15 -39.84 57.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 75.11 110.877 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -76.02 -28.52 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 60.31 110.869 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -74.81 -36.04 62.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 72.14 110.894 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.886 HG22 HD11 ' A' ' 365' ' ' ILE . 34.1 pt -73.51 -2.49 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 52.0 111.138 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -38.73 31.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.35 110.885 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.39 26.04 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 65.42 110.858 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.466 ' CD2' HD13 ' A' ' 368' ' ' LEU . 0.0 OUTLIER -87.47 122.26 30.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 70.24 110.861 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -175.1 154.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 62.2 110.877 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.429 HG13 ' CE2' ' A' ' 406' ' ' PHE . 17.0 m -82.6 133.27 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 71.22 111.145 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 38.8 t -66.28 169.43 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 64.22 110.868 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.17 -33.95 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 73.33 110.952 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.5 p -53.66 -41.65 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.1 111.093 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.641 HD11 ' HB ' ' A' ' 370' ' ' VAL . 86.9 mt -70.73 -51.4 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.088 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.1 mtm -58.26 -32.05 68.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.859 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.14 -53.47 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.903 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 415' ' ' LYS . . . . . 0.63 ' CB ' HD23 ' A' ' 377' ' ' LEU . 16.7 mttm -58.82 -38.71 79.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.883 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.3 p -55.35 -51.27 67.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 61.13 110.849 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 28.7 m -53.81 -48.55 69.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 52.43 111.149 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttp -51.11 -42.8 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.854 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.632 HD22 HD12 ' A' ' 380' ' ' LEU . 61.9 mt -74.46 -46.67 38.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 43.52 110.905 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -52.52 -53.9 39.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.05 110.925 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -58.03 -37.73 74.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 72.53 110.878 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -54.34 -51.67 64.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.93 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 22.5 m-85 -75.16 -36.06 61.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 54.34 110.865 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -59.31 -43.46 92.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 71.03 110.856 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -61.79 -35.01 76.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 62.42 110.902 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.1 mtm -76.09 -35.08 59.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.875 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.888 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.894 0.378 . . . . 60.3 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.5 tpt -54.55 -36.89 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 71.15 110.931 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.25 -41.36 63.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.855 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 72.6 m -63.32 -37.96 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.875 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 351' ' ' ARG . . . . . 0.404 HH11 HD22 ' A' ' 383' ' ' LEU . 9.6 ptp180 -76.49 -33.74 58.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.829 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.529 HD22 ' CE ' ' A' ' 396' ' ' MET . 15.6 mt -75.34 -33.32 61.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.916 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -33.05 70.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.91 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -78.87 -37.68 39.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 75.43 110.847 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 45.6 mt -64.32 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.14 111.095 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -72.16 -39.75 68.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.916 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.7 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 63.02 111.072 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.94 -38.61 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 64.34 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.592 HG22 HD12 ' A' ' 363' ' ' LEU . 53.2 mt -68.58 -34.4 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.166 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -60.7 -44.48 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 71.35 110.931 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -75.62 -31.3 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 61.12 110.927 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 23.1 p -81.32 -1.03 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 73.51 110.858 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.592 HD12 HG22 ' A' ' 359' ' ' ILE . 26.5 mt -121.29 26.32 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 63.44 110.886 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -72.45 170.08 15.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 73.13 110.883 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 1.031 HD11 HG22 ' B' ' 403' ' ' ILE . 6.3 tp -84.0 -37.66 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 75.13 111.118 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.56 -29.97 15.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.882 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -112.44 36.26 3.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 65.54 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.721 HD13 ' CE1' ' B' ' 406' ' ' PHE . 20.8 tp -53.36 107.3 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 61.41 110.954 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -127.81 69.89 1.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.15 110.819 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.584 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.1 m -51.64 -30.0 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 73.32 111.151 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -52.16 -40.78 61.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 71.21 110.867 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -75.8 -33.65 60.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.87 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.426 ' SG ' HG23 ' A' ' 359' ' ' ILE . 48.6 t -53.13 -51.02 63.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 70.04 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -61.71 -46.76 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 55.44 111.185 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -52.02 -34.71 44.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.841 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.76 -54.25 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.24 111.089 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.9 mt -52.57 -36.99 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 72.3 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.63 -49.04 77.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 44.25 110.877 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.54 -41.01 98.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 34.12 110.888 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.656 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.5 tm? -54.67 -37.33 65.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 52.31 110.899 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.545 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -73.99 -34.74 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 53.33 111.137 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -36.85 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.843 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.404 HD22 HH11 ' A' ' 351' ' ' ARG . 49.1 mt -64.94 111.93 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 63.21 110.919 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.81 76.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.925 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -88.27 144.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 44.12 111.126 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -101.72 173.85 6.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 72.12 111.192 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -38.3 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.23 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -51.93 -59.27 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 70.25 110.865 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -67.58 -35.98 80.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.873 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.4 78.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 73.34 111.08 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.8 -36.01 46.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.926 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -72.45 -34.75 67.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 71.12 110.874 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -95.39 35.67 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 70.14 110.85 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.525 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.1 OUTLIER -52.41 -35.32 51.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 63.35 111.147 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -60.85 -48.21 82.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 65.31 110.89 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.529 ' CE ' HD22 ' A' ' 352' ' ' LEU . 47.5 ttp -55.37 -39.99 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.902 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.775 ' HA ' HD12 ' A' ' 400' ' ' LEU . 4.6 mt -70.05 -37.96 73.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 64.34 111.122 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 11.6 m -62.61 -43.09 99.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 71.25 111.162 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 87.2 m -62.2 -34.72 76.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 64.32 111.143 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 397' ' ' ILE . 43.4 mt -58.16 -36.61 73.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.921 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -75.97 -28.97 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 75.05 110.893 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -74.61 -35.35 62.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 71.01 110.876 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.09 HG22 HD11 ' B' ' 365' ' ' ILE . 34.7 pt -74.61 -1.24 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -32.29 29.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.862 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -20.24 7.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.845 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -41.28 121.34 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 75.04 110.868 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.6 130.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 74.21 110.905 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.506 HG13 ' HE2' ' B' ' 406' ' ' PHE . 7.7 m -61.2 131.34 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 43.23 111.135 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 34.9 t -66.65 166.3 13.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.858 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -63.23 -36.54 83.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.949 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.5 p -54.04 -39.86 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 73.11 111.114 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.778 HD11 ' HB ' ' B' ' 370' ' ' VAL . 93.3 mt -69.24 -47.25 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.31 111.112 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.9 mtm -64.4 -32.77 74.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 65.12 110.886 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -53.75 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.897 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -60.69 -39.33 88.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.909 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 416' ' ' SER . . . . . 0.417 ' HB2' HD11 ' B' ' 403' ' ' ILE . 55.8 p -54.95 -48.88 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.853 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 31.3 m -56.02 -49.48 73.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 73.02 111.185 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.4 ttp -50.58 -44.26 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.888 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.62 HD13 HD12 ' B' ' 380' ' ' LEU . 59.3 mt -74.32 -39.39 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 71.2 110.914 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -60.07 -60.26 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.959 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -58.94 -35.06 72.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.915 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -54.85 -53.71 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.863 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.486 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 22.0 m-85 -69.68 -37.91 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -55.54 -44.51 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 63.42 110.86 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -56.3 -35.22 67.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 44.24 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 19.5 mtm -75.42 -34.98 61.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.841 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 65.35 110.844 -179.936 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.887 0.375 . . . . 65.44 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.6 tpt -53.52 -36.79 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.862 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -73.43 -40.49 64.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.863 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 72.5 m -64.05 -37.52 87.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 65.45 110.904 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -76.74 -33.94 58.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 64.45 110.844 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.4 -34.76 61.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 63.21 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.68 -33.56 72.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 64.41 110.902 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -78.44 -37.4 43.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 71.42 110.849 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 48.5 mt -65.74 -39.82 85.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 75.43 111.165 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -71.85 -39.63 69.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.894 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.37 78.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 75.04 111.096 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.19 -38.92 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.45 110.864 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.599 HG22 HD12 ' B' ' 363' ' ' LEU . 53.8 mt -67.76 -34.62 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 62.43 111.167 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -61.6 -43.46 98.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.869 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -75.72 -32.13 59.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.2 110.89 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 30.6 p -81.37 -0.82 42.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 71.21 110.871 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.599 HD12 HG22 ' B' ' 359' ' ' ILE . 26.2 mt -120.58 26.16 9.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 45.15 110.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.69 170.45 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.922 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.09 HD11 HG22 ' A' ' 403' ' ' ILE . 5.8 tp -84.32 -38.32 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.11 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -92.59 -31.63 15.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.846 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -111.0 36.33 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 65.1 110.88 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.0 tp -53.42 107.37 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.949 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -127.1 70.3 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.87 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.778 ' HB ' HD11 ' A' ' 412' ' ' ILE . 15.7 m -51.84 -30.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 64.02 111.103 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -52.06 -40.61 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.921 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -75.76 -34.17 60.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 64.21 110.878 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.431 ' SG ' HG23 ' B' ' 359' ' ' ILE . 48.4 t -53.15 -50.94 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 61.02 110.895 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -61.22 -45.84 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 64.33 111.077 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -51.92 -35.93 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.56 -52.74 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.15 111.087 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 14.5 mt -52.22 -35.49 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 72.3 110.923 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.2 -49.17 78.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 54.03 110.849 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -45.09 95.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 62.51 110.89 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.667 HD13 ' O ' ' B' ' 380' ' ' LEU . 2.4 tm? -52.44 -36.42 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.938 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 381' ' ' ALA . . . . . 0.451 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -73.74 -34.59 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 71.22 111.101 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.03 -36.24 64.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 63.33 110.835 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.84 112.93 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 71.02 110.931 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -75.11 75.54 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 65.43 110.915 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.7 p -87.61 144.15 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 70.11 111.171 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -101.7 173.79 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 45.24 111.173 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -38.39 80.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 75.31 110.888 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -51.95 -59.2 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -67.2 -36.1 81.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.12 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.87 76.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 62.03 111.069 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.91 -35.98 47.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 71.43 110.902 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -71.78 -34.96 69.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 54.25 110.877 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -94.97 35.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 74.34 110.858 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.659 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.1 OUTLIER -51.51 -35.45 40.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 54.13 111.143 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.07 -49.01 79.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.901 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 396' ' ' MET . . . . . 0.548 ' HE3' HD21 ' B' ' 380' ' ' LEU . 47.0 ttp -55.39 -40.66 71.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.743 ' HA ' HD12 ' B' ' 400' ' ' LEU . 4.5 mt -66.72 -40.79 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 71.44 111.159 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 12.4 m -62.24 -44.47 96.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 55.43 111.155 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.4 m -59.5 -37.19 77.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 71.54 111.15 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' B' ' 397' ' ' ILE . 23.1 mt -58.53 -35.71 72.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.927 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -76.7 -28.75 55.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 60.31 110.883 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -74.91 -33.99 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.88 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 1.031 HG22 HD11 ' A' ' 365' ' ' ILE . 33.5 pt -75.38 -1.73 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 52.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -34.65 54.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.35 110.856 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.66 -14.19 8.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 65.42 110.855 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.721 ' CE1' HD13 ' A' ' 368' ' ' LEU . 5.6 t80 -45.19 113.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 70.24 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.69 133.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 62.2 110.931 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.406 HG22 ' O ' ' B' ' 409' ' ' SER . 2.5 p -59.54 135.49 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 71.22 111.127 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 409' ' ' SER . . . . . 0.406 ' O ' HG22 ' B' ' 408' ' ' VAL . 36.5 t -72.58 170.68 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 64.22 110.846 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -71.02 -34.79 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.897 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.42 -41.9 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.1 111.106 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.584 HD11 ' HB ' ' A' ' 370' ' ' VAL . 47.6 mt -73.18 -49.87 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.089 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.1 mtm -55.86 -31.92 63.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.86 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.2 -53.4 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -59.3 -39.68 83.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.941 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 97.2 p -56.37 -43.54 79.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 61.13 110.83 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 12.8 m -58.79 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 52.43 111.137 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.4 ttp -49.15 -41.89 37.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.879 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.579 HD13 HD12 ' A' ' 380' ' ' LEU . 60.4 mt -75.33 -34.74 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 43.52 110.926 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -61.46 -62.69 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.05 110.941 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -59.97 -32.17 70.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.889 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -53.09 -48.78 67.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 71.45 110.912 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -75.47 -40.92 56.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 54.34 110.907 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -53.37 -47.7 69.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 71.03 110.921 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -52.01 -35.74 47.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 62.42 110.936 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 19.6 mtm -76.28 -35.38 58.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 74.43 110.886 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 71.21 110.854 -179.918 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.868 0.366 . . . . 60.3 110.865 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.59 -41.07 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.15 110.88 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.76 -35.63 65.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 75.24 110.883 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 36.7 t -71.31 -38.68 71.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 64.41 110.833 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -74.7 -33.99 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 74.54 110.867 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.583 HD23 HD12 ' A' ' 355' ' ' ILE . 12.9 mt -71.21 -47.51 56.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.976 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.49 -27.93 58.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.883 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -74.49 -35.93 63.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.895 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.583 HD12 HD23 ' A' ' 352' ' ' LEU . 53.0 mt -64.46 -42.82 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 73.14 111.109 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -71.93 -38.14 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.86 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.85 -44.69 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 63.02 111.078 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -55.05 -54.29 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 64.34 110.882 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.51 HG22 HD12 ' A' ' 363' ' ' LEU . 56.0 mt -55.77 -34.75 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.32 111.14 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -58.76 -49.23 78.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 71.35 110.886 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -74.85 -29.42 61.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 61.12 110.894 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 3.7 p -79.95 -1.08 37.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.832 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.51 HD12 HG22 ' A' ' 359' ' ' ILE . 36.7 mt -121.14 26.06 9.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 63.44 110.89 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 169.96 13.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 73.13 110.944 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 1.083 HD11 HG22 ' B' ' 403' ' ' ILE . 6.1 tp -84.62 -40.64 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 75.13 111.105 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 366' ' ' ASP . . . . . 0.421 ' N ' HG23 ' A' ' 365' ' ' ILE . 7.2 p-10 -90.7 -32.74 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.864 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.2 36.56 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 65.54 110.9 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.567 HD13 ' CE1' ' B' ' 406' ' ' PHE . 16.5 tp -53.06 107.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 61.41 110.94 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -125.33 70.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 74.15 110.813 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.662 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.2 m -55.48 -29.94 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 73.32 111.139 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -52.06 -37.59 54.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.928 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -33.18 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.846 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.403 ' SG ' HG23 ' A' ' 359' ' ' ILE . 30.1 t -53.32 -55.37 25.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 70.04 110.905 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.29 -46.21 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 55.44 111.133 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.2 -34.68 64.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 74.11 110.947 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.457 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -73.77 -52.21 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.121 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 18.8 mt -52.03 -36.01 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 72.3 110.928 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.84 -49.18 78.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 44.25 110.868 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -58.9 -51.01 71.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 34.12 110.866 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.661 HD12 HD12 ' B' ' 419' ' ' LEU . 1.0 OUTLIER -51.67 -46.74 63.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 52.31 110.88 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.28 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 53.33 111.118 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -76.52 -35.61 58.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.852 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.77 117.16 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 63.21 110.935 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -84.11 54.82 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.02 110.932 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 385' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' A' ' 389' ' ' GLN . 6.1 p -67.06 137.79 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 44.12 111.165 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -95.3 172.58 8.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.134 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 13.4 tpt -52.69 -37.87 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.913 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -52.25 -59.18 4.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 70.25 110.922 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 389' ' ' GLN . . . . . 0.438 ' CB ' HG23 ' A' ' 385' ' ' VAL . 0.1 OUTLIER -70.79 -36.08 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 70.44 110.923 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.36 -51.19 67.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 73.34 111.135 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -52.89 -42.41 65.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.933 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -65.07 -35.64 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.911 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.421 ' CE1' HD12 ' A' ' 352' ' ' LEU . 80.6 m80 -95.31 35.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.14 110.834 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.675 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.2 OUTLIER -56.27 -40.8 74.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 63.35 111.144 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.46 -38.02 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 65.31 110.872 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.401 ' HE1' HD21 ' A' ' 380' ' ' LEU . 1.3 tmm? -64.75 -44.31 90.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.877 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.783 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.9 mt -63.25 -35.27 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 64.34 111.142 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 55.2 m -63.31 -47.94 80.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 71.25 111.168 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -56.06 -37.0 68.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 64.32 111.14 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 397' ' ' ILE . 24.5 mt -57.42 -35.01 69.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.88 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -28.86 54.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 75.05 110.883 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -75.88 -33.98 59.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 71.01 110.871 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.003 HG22 HD11 ' B' ' 365' ' ' ILE . 39.3 pt -74.37 -1.68 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 75.44 111.136 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -79.62 -34.19 40.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 64.01 110.854 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.59 -19.29 8.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.871 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.525 ' CE1' HG13 ' B' ' 408' ' ' VAL . 0.8 OUTLIER -41.34 114.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 75.04 110.868 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 407' ' ' LYS . . . . . 0.408 ' HD2' ' HD2' ' B' ' 407' ' ' LYS . 6.9 ttpp -177.53 133.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 74.21 110.883 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.578 HG13 ' HE2' ' B' ' 406' ' ' PHE . 2.8 m -56.98 142.5 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 43.23 111.129 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.91 166.15 23.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.866 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -35.3 78.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.893 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 23.4 t -56.1 -50.32 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.11 111.157 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.677 HD11 ' HB ' ' B' ' 370' ' ' VAL . 84.2 mt -60.79 -53.09 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.125 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 31.7 mtm -56.76 -32.5 65.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 65.12 110.868 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -74.47 -53.49 9.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 73.25 110.913 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -58.86 -40.02 83.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.923 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 91.4 p -55.05 -48.52 73.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 52.2 m -53.94 -50.61 66.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 73.02 111.184 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -48.93 -50.32 35.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 71.21 110.876 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' B' ' 380' ' ' LEU . 9.2 mp -69.35 -34.77 75.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 71.2 110.912 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -59.23 -62.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.895 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -62.28 -30.79 71.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 73.14 110.876 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -53.95 -51.09 64.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.891 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 45.0 m-85 -75.63 -35.65 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 74.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.88 -44.29 63.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 63.42 110.862 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -60.23 -35.73 76.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 44.24 110.861 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 5.8 mtm -77.7 -34.67 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.836 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 65.35 110.873 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.843 0.354 . . . . 65.44 110.825 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.5 tpt -60.81 -40.89 94.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.02 110.854 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -73.43 -36.15 65.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.847 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 36.5 t -70.59 -39.5 73.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 65.45 110.843 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -74.28 -34.11 63.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 64.45 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' B' ' 352' ' ' LEU . 12.8 mt -71.1 -47.85 55.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 63.21 110.926 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -57.32 -28.56 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 64.41 110.925 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -71.73 -38.35 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 71.42 110.842 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.699 HG23 ' HB1' ' B' ' 376' ' ' ALA . 88.9 mt -65.13 -40.12 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.43 111.108 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -71.34 -38.52 71.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.904 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.02 -43.0 65.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.04 111.13 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -55.3 -54.15 47.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.914 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.528 HG22 HD12 ' B' ' 363' ' ' LEU . 56.1 mt -55.22 -35.29 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.43 111.131 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -59.78 -46.11 90.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.844 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -75.94 -29.61 58.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.886 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -81.19 -0.84 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 71.21 110.89 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.528 HD12 HG22 ' B' ' 359' ' ' ILE . 40.1 mt -121.45 26.49 8.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 45.15 110.904 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 171.66 10.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.841 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.003 HD11 HG22 ' A' ' 403' ' ' ILE . 5.5 tp -84.43 -42.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.153 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.449 ' N ' HG23 ' B' ' 365' ' ' ILE . 7.2 p-10 -90.81 -32.32 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.852 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.11 36.18 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 65.1 110.879 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.6 107.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.904 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -126.84 70.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.837 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.677 ' HB ' HD11 ' A' ' 412' ' ' ILE . 6.3 m -56.11 -29.51 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 64.02 111.146 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -52.09 -38.05 56.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.84 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -32.81 60.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 64.21 110.876 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.436 ' SG ' HG23 ' B' ' 359' ' ' ILE . 34.1 t -53.09 -55.03 27.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 61.02 110.875 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.61 -44.95 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 64.33 111.113 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.79 -35.54 63.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 75.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.699 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -73.6 -50.82 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 73.15 111.067 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.29 -36.05 51.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 72.3 110.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.75 -49.17 78.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 54.03 110.825 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.03 -50.79 72.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 62.51 110.913 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 423' ' ' PHE . 0.9 OUTLIER -52.13 -49.8 62.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.928 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.84 -34.56 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.22 111.085 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -76.53 -35.5 58.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 63.33 110.832 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.47 117.1 6.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 71.02 110.925 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -84.5 54.7 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 65.43 110.894 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 385' ' ' VAL . . . . . 0.434 HG23 ' CB ' ' B' ' 389' ' ' GLN . 5.9 p -66.97 138.12 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 70.11 111.122 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -95.21 172.76 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 45.24 111.148 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 13.5 tpt -53.14 -37.6 61.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.858 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -52.44 -59.05 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.893 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 389' ' ' GLN . . . . . 0.434 ' CB ' HG23 ' B' ' 385' ' ' VAL . 0.1 OUTLIER -70.89 -36.48 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.91 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -54.97 -50.96 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 62.03 111.045 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -53.1 -41.19 64.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.923 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -65.68 -35.78 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 54.25 110.956 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -95.41 35.56 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.879 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.621 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.2 OUTLIER -55.31 -41.86 72.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 54.13 111.118 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.49 -36.14 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 74.34 110.837 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -65.43 -45.54 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.43 110.895 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.779 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.5 mt -62.44 -35.18 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 71.44 111.141 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 53.3 m -63.66 -47.52 80.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 55.43 111.175 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.4 m -56.58 -35.01 67.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 71.54 111.184 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' B' ' 397' ' ' ILE . 26.3 mt -59.99 -35.77 75.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.929 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -28.84 56.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 60.31 110.894 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -74.98 -35.33 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.876 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 1.083 HG22 HD11 ' A' ' 365' ' ' ILE . 33.6 pt -73.84 -1.6 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 52.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.08 -34.9 50.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.875 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.75 -16.93 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 65.42 110.862 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.578 ' HE2' HG13 ' A' ' 408' ' ' VAL . 1.2 t80 -43.54 116.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.896 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 407' ' ' LYS . . . . . 0.408 ' HD2' ' HD2' ' A' ' 407' ' ' LYS . 9.6 ttpp -179.26 139.36 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 62.2 110.965 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.525 HG13 ' CE1' ' A' ' 406' ' ' PHE . 2.9 m -59.17 146.86 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 71.22 111.118 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.1 165.85 20.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 64.22 110.823 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.34 -35.91 78.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.876 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.82 -50.69 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.098 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.662 HD11 ' HB ' ' A' ' 370' ' ' VAL . 80.9 mt -60.02 -51.11 76.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 71.34 111.172 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 31.9 mtm -57.17 -33.77 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.898 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -53.52 9.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.877 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -56.93 -40.07 75.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.869 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.0 p -54.72 -52.21 63.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 61.13 110.87 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.9 m -52.51 -44.27 65.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 52.43 111.177 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -51.95 -52.5 49.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.892 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.661 HD12 HD12 ' A' ' 380' ' ' LEU . 3.6 mm? -69.71 -37.88 76.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 43.52 110.895 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -57.94 -56.07 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 75.05 110.946 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -65.43 -34.51 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.836 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -54.4 -53.81 49.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.903 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.501 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 38.9 m-85 -69.85 -35.97 75.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 54.34 110.923 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -52.05 -44.13 64.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 71.03 110.87 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.03 -35.78 77.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 62.42 110.932 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 5.9 mtm -77.24 -33.97 55.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 74.43 110.879 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 71.21 110.831 -179.9 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.851 0.358 . . . . 60.3 110.831 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.1 tpt -54.57 -43.67 72.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 71.15 110.89 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.51 -35.86 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.849 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.9 t -63.8 -40.75 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 64.41 110.892 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -33.29 62.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 74.54 110.867 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.652 ' HA ' HD12 ' A' ' 355' ' ' ILE . 12.8 mt -70.87 -47.44 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.917 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -57.69 -27.94 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.869 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.95 -37.3 55.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.854 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 352' ' ' LEU . 20.9 mt -65.12 -40.08 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.14 111.125 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -71.96 -40.47 68.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.891 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.52 72.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 63.02 111.096 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.07 -51.14 67.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 64.34 110.856 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.571 HG22 HD12 ' A' ' 363' ' ' LEU . 50.1 mt -57.71 -34.89 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.32 111.126 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -61.12 -45.28 95.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 71.35 110.919 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -75.64 -28.0 58.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 61.12 110.871 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.1 p -84.61 -1.23 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 73.51 110.872 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.571 HD12 HG22 ' A' ' 359' ' ' ILE . 28.0 mt -121.69 26.26 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 63.44 110.901 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 170.87 12.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.13 110.938 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 1.054 HD11 HG22 ' B' ' 403' ' ' ILE . 6.2 tp -84.69 -38.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 75.13 111.155 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -93.0 -30.71 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.853 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -111.86 36.26 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 65.54 110.86 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.7 HD13 ' CE1' ' B' ' 406' ' ' PHE . 20.4 tp -53.67 107.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.866 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -127.11 70.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 74.15 110.9 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.663 ' HB ' HD11 ' B' ' 412' ' ' ILE . 5.5 m -53.12 -28.17 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 73.32 111.161 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -51.75 -41.01 61.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 71.21 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -75.8 -32.26 59.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.905 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.428 ' SG ' HG23 ' A' ' 359' ' ' ILE . 20.5 t -52.97 -60.34 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 70.04 110.911 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.4 mt -53.44 -44.74 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 55.44 111.157 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.21 -35.38 62.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.886 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.5 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.03 -51.17 12.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.037 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.75 HD23 HD12 ' B' ' 419' ' ' LEU . 2.2 mt -51.94 -35.69 46.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 72.3 110.922 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.53 -49.22 76.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 44.25 110.849 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.0 -45.85 86.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 34.12 110.912 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.594 HD11 ' HZ ' ' B' ' 423' ' ' PHE . 1.3 tm? -52.37 -47.63 66.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 52.31 110.904 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.89 -35.09 74.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 53.33 111.07 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -72.33 -35.95 68.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.863 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.78 108.26 3.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 63.21 110.891 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -77.72 59.83 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.02 110.924 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.62 137.42 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 44.12 111.119 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -91.91 173.01 8.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 72.12 111.113 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -38.44 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.877 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -54.37 -58.94 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 70.25 110.909 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.34 -35.63 78.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.956 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.43 89.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.34 111.119 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -51.69 -36.13 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 75.25 110.938 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -72.07 -35.02 69.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.12 110.925 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -95.29 35.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 70.14 110.841 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.477 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.2 OUTLIER -57.44 -35.56 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.35 111.11 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.3 -40.79 91.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 65.31 110.915 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.577 ' HE1' HD22 ' A' ' 352' ' ' LEU . 27.5 ttp -55.54 -43.6 75.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 74.31 110.91 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.614 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.0 mt -66.16 -39.19 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 64.34 111.111 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 20.8 m -54.03 -35.37 61.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 71.25 111.153 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.4 m -74.32 -40.62 62.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 64.32 111.15 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 397' ' ' ILE . 72.6 mt -51.46 -39.02 56.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 73.43 110.927 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -76.14 -29.29 57.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.05 110.881 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -74.67 -34.87 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 71.01 110.907 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.09 HG22 HD11 ' B' ' 365' ' ' ILE . 38.2 pt -74.93 -1.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.44 111.104 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -32.16 27.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 64.01 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.33 -20.63 8.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.44 110.9 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.442 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -41.24 120.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.853 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.54 135.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.941 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.13 131.98 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 43.23 111.13 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 1.8 m -64.38 166.14 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.819 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -64.48 -33.3 75.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.896 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.97 -39.16 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 73.11 111.112 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.799 HD11 ' HB ' ' B' ' 370' ' ' VAL . 83.7 mt -64.12 -51.63 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.31 111.126 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 23.0 ptp -66.09 -30.9 71.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 65.12 110.869 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.9 -50.52 48.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 73.25 110.872 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -65.4 -38.13 89.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.847 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 416' ' ' SER . . . . . 0.428 ' HB2' HD11 ' B' ' 403' ' ' ILE . 54.8 p -54.99 -48.79 72.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 71.33 110.858 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 38.6 m -55.12 -48.28 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.02 111.16 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 2.2 ttp -51.82 -47.06 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 71.21 110.85 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.856 HD12 HD12 ' B' ' 380' ' ' LEU . 4.4 mm? -70.22 -43.68 70.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 71.2 110.886 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -52.15 -48.86 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.933 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.23 -35.55 80.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 73.14 110.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -53.33 -53.86 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.886 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.484 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 22.0 m-85 -75.63 -36.12 60.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 74.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -56.81 -40.51 76.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 63.42 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.53 -35.19 80.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 44.24 110.876 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 34.7 mtm -74.88 -35.28 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.872 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.509 ' CE2' HD13 ' B' ' 397' ' ' ILE . 22.5 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 65.35 110.889 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.905 0.383 . . . . 65.44 110.82 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.1 tpt -53.09 -43.69 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.02 110.92 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.07 -36.7 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.83 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.9 t -62.53 -41.42 98.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 65.45 110.835 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.51 -33.68 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 64.45 110.885 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.729 ' HA ' HD12 ' B' ' 355' ' ' ILE . 14.3 mt -71.35 -47.74 54.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 63.21 110.922 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -58.12 -29.26 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 64.41 110.907 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.18 -37.51 61.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 71.42 110.839 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' B' ' 352' ' ' LEU . 14.2 mt -65.16 -39.29 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.43 111.095 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -71.64 -39.53 70.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.875 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.48 -42.25 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 75.04 111.137 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -55.21 -50.67 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 74.45 110.921 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.566 HG22 HD12 ' B' ' 363' ' ' LEU . 50.6 mt -57.55 -34.94 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 62.43 111.14 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -59.07 -51.34 70.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.875 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -70.63 -30.84 67.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 75.2 110.852 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.7 p -80.04 -2.4 44.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.889 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.566 HD12 HG22 ' B' ' 359' ' ' ILE . 27.8 mt -121.68 26.17 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 45.15 110.92 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -71.72 169.96 14.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.867 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.09 HD11 HG22 ' A' ' 403' ' ' ILE . 6.0 tp -84.11 -38.64 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.111 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -93.31 -30.82 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.842 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -112.01 36.31 3.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 65.1 110.865 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.6 tp -53.48 107.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -125.85 68.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.86 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.799 ' HB ' HD11 ' A' ' 412' ' ' ILE . 17.6 m -51.66 -29.85 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 64.02 111.131 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -52.05 -40.4 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.904 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -75.78 -32.48 59.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 64.21 110.891 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' B' ' 359' ' ' ILE . 22.4 t -52.98 -59.21 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 61.02 110.875 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.5 mt -53.6 -44.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 64.33 111.169 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.99 -36.45 60.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.627 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.93 -48.34 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.15 111.122 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 2.1 mt -52.2 -35.35 48.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 72.3 110.88 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.87 -49.05 69.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 54.03 110.868 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.22 -46.21 79.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.51 110.911 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.856 HD12 HD12 ' A' ' 419' ' ' LEU . 0.4 OUTLIER -52.47 -52.15 55.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.31 110.914 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.25 66.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 71.22 111.121 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -72.53 -36.81 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 63.33 110.847 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.8 mt -70.06 108.27 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.02 110.9 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -77.63 60.03 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 65.43 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.1 p -69.23 137.14 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 70.11 111.129 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -90.46 173.31 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 45.24 111.146 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -38.63 74.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.31 110.88 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -53.64 -58.02 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.935 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -69.32 -36.27 76.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.12 110.882 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.1 88.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 62.03 111.079 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -52.49 -36.17 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 71.43 110.888 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -71.08 -35.55 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 54.25 110.894 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -95.26 35.57 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.843 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.448 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.2 OUTLIER -56.37 -35.53 67.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 54.13 111.116 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.06 -40.85 86.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.917 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 396' ' ' MET . . . . . 0.558 ' HE3' HD21 ' B' ' 380' ' ' LEU . 20.2 ttp -55.37 -47.64 75.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.85 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.616 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.8 mp -60.59 -41.18 86.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 71.44 111.125 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 23.9 m -54.08 -35.66 62.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 55.43 111.103 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.7 m -73.22 -43.11 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.54 111.154 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' B' ' 397' ' ' ILE . 46.4 mt -51.7 -38.26 54.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.935 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -76.77 -28.96 55.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 60.31 110.882 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -74.95 -33.98 62.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.904 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 1.054 HG22 HD11 ' A' ' 365' ' ' ILE . 35.9 pt -75.29 -2.17 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 52.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -34.23 55.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 71.35 110.89 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.53 -15.03 9.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 65.42 110.878 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.7 ' CE1' HD13 ' A' ' 368' ' ' LEU . 10.9 t80 -45.11 108.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 70.24 110.867 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.99 136.05 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 62.2 110.857 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.7 p -58.32 135.22 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 71.22 111.13 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 1.7 m -65.56 175.42 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 64.22 110.872 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -78.79 -33.0 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.932 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.24 -37.47 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.12 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.663 HD11 ' HB ' ' A' ' 370' ' ' VAL . 90.5 mt -65.97 -49.84 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 71.34 111.164 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.0 ptp -63.51 -33.15 74.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.13 110.859 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -50.5 48.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.869 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -62.89 -39.74 95.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.94 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 416' ' ' SER . . . . . 0.457 ' HB2' HD11 ' A' ' 403' ' ' ILE . 54.0 p -54.78 -45.94 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 61.13 110.883 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 36.6 m -57.83 -46.26 84.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 52.43 111.127 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 2.2 ttp -54.41 -44.23 72.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.942 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.75 HD12 HD23 ' A' ' 377' ' ' LEU . 28.9 mt -73.14 -41.36 64.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 43.52 110.921 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -53.61 -49.37 67.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.917 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -65.46 -34.77 79.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.851 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -53.18 -53.3 52.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 71.45 110.888 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.594 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 95.7 m-85 -74.41 -39.8 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 54.34 110.889 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -54.68 -41.92 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 71.03 110.883 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -64.04 -35.98 82.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 62.42 110.89 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 34.4 mtm -75.57 -35.12 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.887 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 427' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 397' ' ' ILE . 20.3 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 71.21 110.874 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.866 0.365 . . . . 60.3 110.817 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -35.66 60.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 71.15 110.928 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -73.68 -45.54 51.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 75.24 110.891 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.23 -38.91 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.829 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -74.91 -33.96 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 74.54 110.876 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.628 ' HA ' HD12 ' A' ' 355' ' ' ILE . 5.9 mt -71.25 -47.46 57.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.95 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -56.37 -28.7 59.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.901 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -76.91 -38.13 54.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.873 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 352' ' ' LEU . 24.2 mt -64.15 -38.59 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.117 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -71.89 -39.22 69.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.841 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.87 -42.17 67.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 63.02 111.087 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -54.91 -38.27 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 64.34 110.921 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.485 HG23 ' SG ' ' A' ' 373' ' ' CYS . 38.2 mt -74.41 -33.87 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 73.32 111.117 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -61.8 -52.43 64.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 71.35 110.894 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -71.45 -29.63 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 61.12 110.928 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 15.7 m -74.75 -26.73 59.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.887 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 363' ' ' LEU . 32.0 mt -94.43 26.55 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 63.44 110.915 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.13 170.1 7.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.883 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 0.958 HD11 HG22 ' B' ' 403' ' ' ILE . 5.7 tp -84.65 -40.96 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.13 111.123 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 366' ' ' ASP . . . . . 0.422 ' N ' HG23 ' A' ' 365' ' ' ILE . 13.1 p-10 -91.7 -32.6 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.875 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -105.08 36.63 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 65.54 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' B' ' 406' ' ' PHE . 16.3 tp -55.83 106.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 61.41 110.95 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.29 71.64 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.15 110.84 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.77 ' HB ' HD11 ' B' ' 412' ' ' ILE . 17.4 m -51.87 -28.01 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.098 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -51.11 -40.46 58.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.909 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -76.42 -33.31 58.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.858 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.485 ' SG ' HG23 ' A' ' 359' ' ' ILE . 7.4 t -53.23 -59.39 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.914 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.09 -48.27 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 55.44 111.128 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -51.55 -35.6 41.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.857 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.96 -53.17 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.082 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.91 -45.05 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 72.3 110.929 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.92 -37.37 79.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 44.25 110.899 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -65.32 -47.45 76.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 34.12 110.847 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.693 HD23 HD12 ' A' ' 383' ' ' LEU . 0.0 OUTLIER -52.04 -54.0 35.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 52.31 110.896 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.564 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -55.08 -21.43 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 53.33 111.074 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -98.96 26.71 5.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.828 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.693 HD12 HD23 ' A' ' 380' ' ' LEU . 36.6 mt -109.96 -30.02 7.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 63.21 110.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 50.84 42.79 28.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.922 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.92 145.03 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 44.12 111.111 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -87.58 175.46 7.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 72.12 111.128 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 1.8 ttt -62.64 -38.85 91.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.861 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.67 -54.5 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 70.25 110.919 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.2 -35.4 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 70.44 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.49 88.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.115 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -51.83 -44.53 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 75.25 110.955 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -35.31 80.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.49 35.56 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 70.14 110.868 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.707 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.2 OUTLIER -58.61 -36.27 73.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 63.35 111.146 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.47 -41.4 98.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.896 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.46 ' CE ' HD22 ' A' ' 352' ' ' LEU . 3.1 tmm? -57.1 -37.56 72.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.907 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.714 ' HA ' HD12 ' A' ' 400' ' ' LEU . 4.3 mt -70.04 -38.32 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 64.34 111.163 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 91.9 m -58.09 -40.33 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 71.25 111.118 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.1 m -65.36 -36.16 83.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.136 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 397' ' ' ILE . 48.9 mt -57.6 -37.27 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.881 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -75.49 -29.03 59.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.925 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -74.34 -35.89 63.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.01 110.957 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 0.939 HG22 HD11 ' B' ' 365' ' ' ILE . 33.8 pt -74.21 -1.53 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.44 111.128 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -33.12 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 64.01 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -20.25 7.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.869 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.474 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.8 120.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 75.04 110.916 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -175.53 141.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.885 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.545 HG22 ' HB ' ' A' ' 412' ' ' ILE . 9.2 p -62.1 136.49 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 43.23 111.138 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 7.7 t -67.66 179.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.856 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -79.75 -38.94 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 74.23 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.7 p -60.0 -39.53 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 73.11 111.112 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.756 HD11 ' HB ' ' B' ' 370' ' ' VAL . 92.7 mt -64.48 -54.15 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.177 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 413' ' ' MET . . . . . 0.5 ' HE2' HG13 ' A' ' 408' ' ' VAL . 16.7 ptp -62.26 -32.45 73.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 65.12 110.835 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.38 -36.04 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.896 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -76.57 -36.06 57.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 75.21 110.93 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.1 p -56.38 -47.74 78.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 71.33 110.85 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 97.2 m -53.93 -46.12 71.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 73.02 111.102 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.9 tpt -50.8 -48.92 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 71.21 110.869 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.984 HD13 HD23 ' B' ' 380' ' ' LEU . 25.2 mt -73.53 -35.61 65.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 71.2 110.911 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -60.88 -58.43 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.869 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.5 -34.67 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.92 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -53.87 -53.26 55.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.876 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -70.12 -41.93 73.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 74.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -51.98 -45.17 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 63.42 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -55.6 -35.44 65.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 44.24 110.875 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 28.3 mtm -75.42 -34.56 61.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.898 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.459 ' CE2' HD13 ' B' ' 397' ' ' ILE . 42.7 m-85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 65.35 110.872 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.882 0.372 . . . . 65.44 110.845 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.13 -35.88 60.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.89 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -73.25 -44.96 58.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 75.42 110.877 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -39.47 89.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 65.45 110.836 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.85 -34.29 62.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 64.45 110.879 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.655 ' HA ' HD12 ' B' ' 355' ' ' ILE . 11.4 mt -71.19 -48.1 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 63.21 110.929 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -55.09 -28.61 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 64.41 110.913 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -76.43 -35.57 58.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.865 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' B' ' 352' ' ' LEU . 52.0 mt -63.5 -40.92 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 75.43 111.119 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -71.79 -42.51 67.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.845 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.21 80.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 75.04 111.091 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.54 -38.05 66.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.45 110.885 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.494 HG23 ' SG ' ' B' ' 373' ' ' CYS . 32.5 mt -75.22 -30.31 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 62.43 111.141 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -63.41 -52.8 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.3 110.901 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -72.44 -28.55 63.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 75.2 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.0 m -74.75 -26.98 60.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 42.1 mt -94.88 26.5 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 45.15 110.886 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.36 169.19 9.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.876 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 0.939 HD11 HG22 ' A' ' 403' ' ' ILE . 5.7 tp -84.67 -40.52 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 74.33 111.138 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.416 ' N ' HG23 ' B' ' 365' ' ' ILE . 13.3 p-10 -90.84 -33.21 15.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 64.14 110.856 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -106.05 36.57 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 65.1 110.893 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 15.8 tp -55.68 106.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.953 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.67 71.92 1.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 74.12 110.873 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.756 ' HB ' HD11 ' A' ' 412' ' ' ILE . 16.2 m -52.22 -27.95 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 64.02 111.08 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -51.16 -41.02 59.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.869 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -76.3 -32.82 58.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 64.21 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.494 ' SG ' HG23 ' B' ' 359' ' ' ILE . 6.1 t -53.21 -59.05 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 61.02 110.824 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.43 -45.35 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 64.33 111.136 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -53.44 -36.62 61.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 75.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.82 -51.5 11.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.15 111.104 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 3.1 mt -52.07 -42.63 63.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 72.3 110.94 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.61 -35.01 79.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 54.03 110.891 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.19 -50.33 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 62.51 110.886 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.984 HD23 HD13 ' A' ' 419' ' ' LEU . 6.3 tp -56.28 -48.11 77.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.31 110.949 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 381' ' ' ALA . . . . . 0.525 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -54.54 -25.68 27.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 71.22 111.104 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -79.57 -29.95 41.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 63.33 110.884 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.38 101.78 13.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 71.02 110.905 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -73.42 68.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 65.43 110.892 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.93 136.53 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 70.11 111.111 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -83.64 173.32 11.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 45.24 111.131 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 1.9 ttt -59.8 -38.97 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.882 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -52.53 -54.32 34.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.901 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -74.21 -36.03 63.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.884 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.39 88.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 62.03 111.05 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -51.79 -42.66 62.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 71.43 110.915 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -35.51 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 54.25 110.922 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -95.19 35.61 1.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.862 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.648 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.1 OUTLIER -55.73 -35.43 66.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 54.13 111.167 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.79 -42.43 95.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 74.34 110.885 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -55.33 -38.25 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.867 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.72 ' HA ' HD12 ' B' ' 400' ' ' LEU . 4.1 mt -67.55 -42.79 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 71.44 111.139 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 92.1 m -55.52 -45.42 77.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 55.43 111.153 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.7 m -58.42 -41.8 85.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 71.54 111.164 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' B' ' 397' ' ' ILE . 22.4 mt -55.95 -35.57 66.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.931 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -76.32 -28.77 57.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 60.31 110.837 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -75.37 -35.41 61.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.958 HG22 HD11 ' A' ' 365' ' ' ILE . 35.8 pt -73.6 -1.66 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 52.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -33.62 42.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 71.35 110.861 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.8 -20.04 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 65.42 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.479 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.2 OUTLIER -40.79 119.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 70.24 110.85 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -175.23 141.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 62.2 110.893 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.541 HG22 ' HB ' ' B' ' 412' ' ' ILE . 9.2 p -61.94 137.1 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 71.22 111.154 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 7.7 t -68.62 179.76 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 64.22 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -79.72 -38.76 32.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 73.33 110.94 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.14 -39.61 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 73.1 111.094 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.77 HD11 ' HB ' ' A' ' 370' ' ' VAL . 94.0 mt -64.49 -54.54 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.34 111.091 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 413' ' ' MET . . . . . 0.486 ' HE2' HG13 ' B' ' 408' ' ' VAL . 16.8 ptp -61.85 -31.95 72.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.905 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.59 -36.21 63.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.819 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -76.64 -37.9 55.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.852 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 90.6 p -55.16 -44.58 75.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 61.13 110.844 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 417' ' ' THR . . . . . 0.43 HG22 ' ND2' ' B' ' 421' ' ' ASN . 98.1 m -56.41 -47.44 79.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 52.43 111.104 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -49.11 -47.57 45.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.852 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 381' ' ' ALA . 45.6 mt -75.55 -34.63 60.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 43.52 110.875 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.07 -63.95 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.913 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 421' ' ' ASN . . . . . 0.43 ' ND2' HG22 ' B' ' 417' ' ' THR . 10.3 p30 -63.04 -32.6 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.877 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -53.02 -47.97 67.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 71.45 110.898 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -75.59 -43.1 49.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 54.34 110.836 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -53.46 -46.76 70.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 71.03 110.904 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.84 -35.72 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 62.42 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 27.4 mtm -77.34 -35.05 55.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.903 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 427' ' ' PHE . . . . . 0.444 ' CE2' HD13 ' A' ' 397' ' ' ILE . 42.2 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.21 110.928 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.901 0.381 . . . . 60.3 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -38.15 63.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 71.15 110.883 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.45 -34.66 65.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 75.24 110.916 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 11.1 m -68.36 -38.74 81.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 64.41 110.835 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -33.65 62.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.871 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.55 HD23 ' CG ' ' A' ' 393' ' ' HIS . 0.9 OUTLIER -71.19 -47.46 57.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.882 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -57.76 -29.38 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.897 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -76.69 -45.2 30.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.908 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 352' ' ' LEU . 17.7 mt -57.53 -42.32 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.152 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 356' ' ' HIS . . . . . 0.419 ' HA ' HD12 ' A' ' 359' ' ' ILE . 19.2 t-160 -71.84 -39.48 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.846 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.87 -48.68 73.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 63.02 111.063 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.06 -38.79 68.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 64.34 110.918 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.534 HG23 ' SG ' ' A' ' 373' ' ' CYS . 41.3 mt -64.34 -36.52 77.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.142 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -51.99 65.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 71.35 110.894 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -71.62 -31.25 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 61.12 110.85 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 67.1 m -79.42 -1.33 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.858 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.513 HD12 HG22 ' A' ' 359' ' ' ILE . 29.5 mt -121.3 26.55 8.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 63.44 110.907 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -73.9 167.84 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 73.13 110.892 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 1.008 HD11 HG22 ' B' ' 403' ' ' ILE . 6.2 tp -83.4 -37.4 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 75.13 111.088 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -89.34 -30.87 18.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.879 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -116.46 37.13 3.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 65.54 110.87 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' B' ' 406' ' ' PHE . 13.5 tp -52.53 108.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 61.41 110.892 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -124.47 59.64 1.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.843 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 2.9 m -49.63 -32.77 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 73.32 111.186 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -53.31 -35.16 59.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.836 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.74 -35.82 60.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.873 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.534 ' SG ' HG23 ' A' ' 359' ' ' ILE . 4.3 t -53.29 -52.19 59.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 70.04 110.876 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.6 mt -53.4 -35.89 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 55.44 111.118 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.07 -34.51 76.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.11 110.913 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.51 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.64 -53.71 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 74.24 111.105 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.35 -35.01 50.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 72.3 110.882 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.47 -46.23 87.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 44.25 110.858 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.48 -45.39 93.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 34.12 110.896 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.676 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.7 tm? -52.29 -35.82 51.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 52.31 110.924 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -71.29 -35.85 71.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 53.33 111.099 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 2.5 t -70.25 -36.32 74.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.855 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 84.0 mt -67.23 115.28 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 63.21 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -79.92 64.67 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 74.02 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.9 p -74.73 140.09 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 44.12 111.117 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -97.27 173.74 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.12 111.153 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -35.67 72.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.91 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -53.85 -59.22 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 70.25 110.944 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -69.96 -36.78 75.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 70.44 110.908 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.83 -51.24 69.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.068 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.54 -35.97 43.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 75.25 110.899 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.18 -34.31 68.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.55 ' CG ' HD23 ' A' ' 352' ' ' LEU . 76.0 m80 -95.09 35.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 70.14 110.853 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -34.61 57.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 63.35 111.156 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -44.86 82.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 65.31 110.885 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.441 ' HE1' HD21 ' A' ' 380' ' ' LEU . 1.2 ttm -55.16 -56.13 23.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 74.31 110.859 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.553 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.0 mp -58.59 -36.17 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 64.34 111.167 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 34.5 m -56.91 -32.23 65.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 71.25 111.156 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -81.45 -37.19 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 64.32 111.113 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 397' ' ' ILE . 50.1 mt -51.64 -40.0 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 73.43 110.93 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -28.02 56.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 75.05 110.874 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -75.04 -34.77 61.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 71.01 110.922 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.066 HG22 HD11 ' B' ' 365' ' ' ILE . 31.7 pt -74.48 -3.22 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.44 111.141 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -37.8 60.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 64.01 110.848 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 25.22 8.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.895 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.744 ' CD2' HD13 ' B' ' 368' ' ' LEU . 1.2 t80 -84.93 120.72 26.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.04 110.864 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.5 156.47 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.893 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 408' ' ' VAL . 5.6 p -86.91 110.5 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 43.23 111.15 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 28.5 t -46.22 154.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 74.43 110.833 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -60.61 -34.39 74.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 74.23 110.926 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.06 -40.42 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.11 111.165 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.41 HG23 HD11 ' B' ' 377' ' ' LEU . 87.2 mt -74.65 -38.66 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 74.31 111.132 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 26.4 mtm -66.04 -38.2 87.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 65.12 110.89 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -75.63 -34.01 60.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.892 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -71.63 -35.54 70.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.848 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.9 p -62.48 -48.57 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 71.33 110.898 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 35.1 m -52.58 -42.52 64.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 73.02 111.133 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -45.68 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.846 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.437 HD13 HD12 ' B' ' 380' ' ' LEU . 62.8 mt -74.41 -42.69 58.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 71.2 110.912 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -53.77 -52.08 61.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.919 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -62.69 -39.67 94.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 73.14 110.92 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -53.93 -52.04 61.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.91 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.531 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 21.3 m-85 -73.14 -34.02 65.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -62.54 -34.69 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.903 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -48.43 81.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 44.24 110.885 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 15.2 ptp -74.83 -33.42 62.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.905 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.901 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.891 0.377 . . . . 65.44 110.854 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -37.47 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 74.02 110.851 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -35.17 65.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 75.42 110.895 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 11.7 m -68.51 -38.54 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 65.45 110.871 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -74.2 -34.23 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 64.45 110.904 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.544 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.0 OUTLIER -70.05 -47.79 60.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.913 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -58.79 -31.02 68.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 64.41 110.962 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -73.78 -43.7 58.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.579 HG23 ' HB1' ' B' ' 376' ' ' ALA . 14.0 mt -60.48 -41.64 88.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 75.43 111.13 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 356' ' ' HIS . . . . . 0.45 ' HA ' HD12 ' B' ' 359' ' ' ILE . 20.4 t-160 -70.85 -37.34 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.835 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.94 70.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.04 111.147 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.28 -41.09 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.865 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.507 HG22 HD12 ' B' ' 363' ' ' LEU . 27.9 mt -62.89 -36.65 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 62.43 111.199 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -59.93 -51.86 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.88 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -72.45 -31.41 65.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 75.2 110.848 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.4 m -76.76 -4.64 44.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 71.21 110.881 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.507 HD12 HG22 ' B' ' 359' ' ' ILE . 50.4 mt -119.89 26.01 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 45.15 110.931 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -73.9 167.9 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.87 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.066 HD11 HG22 ' A' ' 403' ' ' ILE . 6.6 tp -83.78 -38.45 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.109 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -88.62 -31.08 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 64.14 110.869 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -116.15 37.04 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 65.1 110.902 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.744 HD13 ' CD2' ' A' ' 406' ' ' PHE . 12.1 tp -52.53 107.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 73.24 110.917 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -126.56 63.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.84 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 4.1 m -50.44 -31.02 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.02 111.139 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -52.14 -35.31 48.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.929 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -35.41 60.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 64.21 110.873 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.503 ' SG ' HG23 ' B' ' 359' ' ' ILE . 7.4 t -53.45 -52.89 58.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 61.02 110.883 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 5.3 mt -53.54 -37.31 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 64.33 111.083 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -66.22 -35.5 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.579 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.3 -54.08 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 73.15 111.071 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 377' ' ' LEU . . . . . 0.41 HD11 HG23 ' A' ' 412' ' ' ILE . 21.6 mt -52.6 -36.64 56.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.883 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.29 -46.14 90.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 54.03 110.929 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.6 -46.13 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 62.51 110.852 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.664 HD13 ' O ' ' B' ' 380' ' ' LEU . 1.7 tm? -52.72 -37.49 59.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 72.31 110.89 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.24 -34.61 75.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 71.22 111.076 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 2.5 t -72.38 -37.25 68.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 63.33 110.869 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.1 115.94 6.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 71.02 110.937 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -81.04 64.14 5.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 65.43 110.931 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -75.17 139.13 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 70.11 111.092 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -95.77 173.86 7.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 45.24 111.112 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -35.89 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.891 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -53.49 -57.64 9.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.941 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.41 -36.33 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.926 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.88 -51.07 70.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 62.03 111.111 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -35.8 45.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 71.43 110.92 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.22 70.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 54.25 110.919 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 393' ' ' HIS . . . . . 0.466 ' CG ' HD23 ' B' ' 352' ' ' LEU . 76.6 m80 -95.17 35.54 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 74.34 110.887 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.98 -35.53 59.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 54.13 111.11 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -43.52 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.874 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.5 ttm -55.46 -57.17 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.939 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.662 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.2 mp -56.6 -36.3 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.44 111.138 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.5 m -57.42 -32.21 66.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 55.43 111.15 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -81.55 -38.41 26.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.54 111.158 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' B' ' 397' ' ' ILE . 41.3 mt -51.3 -39.62 57.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 75.11 110.908 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -27.96 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 60.31 110.897 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -75.67 -34.62 60.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 72.14 110.943 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 1.008 HG22 HD11 ' A' ' 365' ' ' ILE . 34.3 pt -74.65 -1.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 52.0 111.116 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -38.23 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.92 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.5 26.37 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 65.42 110.848 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.48 ' CD1' HD13 ' A' ' 368' ' ' LEU . 0.1 OUTLIER -84.21 120.32 26.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 70.24 110.833 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.38 -166.83 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 62.2 110.894 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.575 HG22 ' HB ' ' B' ' 412' ' ' ILE . 11.1 p -118.96 -11.93 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 71.22 111.109 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.0 t 71.96 132.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 64.22 110.839 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -53.63 -35.93 61.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 73.33 110.909 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -53.65 -39.36 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 73.1 111.119 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.575 ' HB ' HG22 ' B' ' 408' ' ' VAL . 9.7 mt -75.06 -34.36 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 71.34 111.111 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.0 mtm -71.32 -39.26 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.903 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -72.17 -37.04 69.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.852 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -69.76 -35.82 75.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 74.32 110.899 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -61.74 -50.16 73.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 61.13 110.856 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 30.5 m -52.16 -45.1 64.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 52.43 111.134 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -45.95 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 74.22 110.883 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.667 HD13 HD12 ' A' ' 380' ' ' LEU . 64.0 mt -74.63 -45.62 43.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 43.52 110.902 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -51.01 -54.76 21.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.909 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -58.87 -35.13 72.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.882 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -57.36 -53.7 55.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.884 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.575 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 93.5 m-85 -70.92 -35.97 72.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 54.34 110.862 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -60.17 -35.05 74.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 71.03 110.886 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -49.03 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 62.42 110.909 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 16.6 ptp -75.11 -33.53 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.864 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 71.21 110.907 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.891 0.377 . . . . 60.3 110.859 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.12 -39.85 63.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 71.15 110.9 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.77 -37.15 65.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 75.24 110.829 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -40.14 96.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 64.41 110.837 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 351' ' ' ARG . . . . . 0.526 ' NH2' HD22 ' A' ' 383' ' ' LEU . 9.5 ptt180 -76.27 -33.11 59.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.858 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.09 -35.37 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 73.52 110.927 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -33.55 74.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.902 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -79.68 -38.12 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 32.2 mt -59.95 -43.91 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.14 111.126 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -72.31 -45.39 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.845 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.53 92.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 63.02 111.102 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.95 -43.98 73.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 64.34 110.865 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.428 HG22 HD12 ' A' ' 363' ' ' LEU . 36.4 mt -64.48 -32.33 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 73.32 111.097 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -62.81 -52.15 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 71.35 110.864 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.92 -29.29 65.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 61.12 110.888 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.8 p -76.12 -26.73 56.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 73.51 110.878 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.428 HD12 HG22 ' A' ' 359' ' ' ILE . 35.9 mt -94.42 26.75 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 63.44 110.957 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 170.85 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 73.13 110.905 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 0.962 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.8 -40.19 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 75.13 111.112 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 366' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 365' ' ' ILE . 10.3 p-10 -90.55 -33.62 15.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.858 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -106.1 36.4 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 65.54 110.907 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' B' ' 406' ' ' PHE . 15.2 tp -57.05 107.39 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 61.41 110.89 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -133.73 76.65 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.15 110.869 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.555 ' O ' HD12 ' A' ' 374' ' ' ILE . 11.3 m -51.61 -29.21 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 73.32 111.097 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.81 -36.77 49.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 71.21 110.878 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -75.89 -35.25 59.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.883 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.404 ' SG ' HG23 ' A' ' 359' ' ' ILE . 27.9 t -58.49 -56.33 23.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 70.04 110.858 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 374' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 370' ' ' VAL . 2.8 mp -53.29 -35.25 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 55.44 111.142 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.19 -36.3 82.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.873 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.26 -54.58 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.085 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 51.0 mt -55.07 -35.94 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 72.3 110.92 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.5 -36.23 83.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 44.25 110.835 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -50.51 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 34.12 110.853 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.9 tm? -53.75 -34.66 59.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 52.31 110.956 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -63.0 -27.93 69.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 53.33 111.103 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 382' ' ' SER . . . . . 0.536 ' O ' HD23 ' A' ' 383' ' ' LEU . 0.2 OUTLIER -93.97 26.22 3.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.846 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 382' ' ' SER . 14.1 mt -120.46 116.4 25.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 63.21 110.901 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -87.75 58.21 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.9 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.93 136.52 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 44.12 111.137 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -80.23 170.22 16.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 72.12 111.164 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -35.26 71.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.23 110.842 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -59.29 5.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 70.25 110.922 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.02 -38.87 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 70.44 110.917 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.22 70.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.136 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 391' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 394' ' ' THR . 0.8 OUTLIER -52.92 -40.68 63.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.939 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -61.18 -34.55 75.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 71.12 110.915 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -95.24 35.71 1.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 70.14 110.881 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 391' ' ' GLN . 0.7 OUTLIER -52.46 -35.21 51.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 63.35 111.142 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.27 -50.54 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 65.31 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 48.9 ttp -55.41 -37.94 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.897 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.831 ' HA ' HD12 ' A' ' 400' ' ' LEU . 62.9 mt -70.11 -38.37 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 64.34 111.089 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 19.2 m -61.62 -44.13 97.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.25 111.178 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.2 m -62.02 -36.02 80.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 64.32 111.156 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 397' ' ' ILE . 18.8 mt -58.3 -36.32 73.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.934 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -76.0 -28.56 57.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 75.05 110.925 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -75.61 -35.72 60.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 71.01 110.898 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 0.984 HG22 HD11 ' B' ' 365' ' ' ILE . 35.7 pt -73.38 -1.49 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 75.44 111.116 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -34.18 45.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 64.01 110.849 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.12 -19.77 7.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.862 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.489 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -40.27 117.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 75.04 110.907 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -173.3 133.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.901 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.7 127.77 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 43.23 111.149 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 8.3 t -64.62 172.59 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.815 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -73.63 -31.67 63.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 74.23 110.912 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 28.9 t -53.22 -44.09 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 73.11 111.12 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.569 HD11 ' HB ' ' B' ' 370' ' ' VAL . 73.1 mt -74.11 -42.64 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.129 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 20.2 mtm -59.13 -43.07 91.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.12 110.905 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.2 -33.54 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.545 ' HE3' HG23 ' B' ' 374' ' ' ILE . 22.4 mttm -71.86 -38.26 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.866 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 70.8 p -60.14 -49.79 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 92.7 m -52.45 -34.63 49.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 73.02 111.139 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 29.2 ttp -58.83 -51.29 70.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.87 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.735 ' HG ' HD12 ' B' ' 380' ' ' LEU . 2.6 mm? -74.47 -35.66 63.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.957 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -59.3 -47.26 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.59 -39.46 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 73.14 110.877 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -54.94 -48.04 73.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.823 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 22.2 m-85 -74.98 -36.16 62.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 74.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -55.88 -50.48 70.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 63.42 110.901 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.47 -35.61 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 44.24 110.863 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 8.5 mtm -75.53 -35.09 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 65.35 110.841 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.876 0.37 . . . . 65.44 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.27 -40.49 64.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 74.02 110.912 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.99 -32.22 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.863 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -39.62 90.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 65.45 110.888 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -77.73 -33.18 53.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 64.45 110.874 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.531 ' CD2' HD23 ' B' ' 380' ' ' LEU . 13.5 mt -74.46 -43.61 55.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 63.21 110.939 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -61.02 -35.45 76.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.951 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -78.15 -35.69 48.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 71.42 110.863 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.446 HG23 ' HB1' ' B' ' 376' ' ' ALA . 26.9 mt -64.41 -40.79 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 75.43 111.122 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -72.05 -40.42 68.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 74.23 110.828 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.91 89.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.04 111.111 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.24 -42.25 73.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 74.45 110.868 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.426 HG22 HD12 ' B' ' 363' ' ' LEU . 38.4 mt -65.69 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 62.43 111.122 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -62.86 -51.91 65.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.3 110.905 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -70.56 -29.42 65.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 75.2 110.881 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 13.2 p -76.4 -27.1 56.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.21 110.883 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.426 HD12 HG22 ' B' ' 359' ' ' ILE . 34.9 mt -94.14 26.91 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 45.15 110.897 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.84 171.29 6.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.912 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 0.984 HD11 HG22 ' A' ' 403' ' ' ILE . 5.6 tp -84.91 -39.7 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 74.33 111.137 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -91.02 -33.44 15.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 64.14 110.854 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -106.05 36.49 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 65.1 110.896 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' A' ' 406' ' ' PHE . 15.9 tp -57.02 107.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.964 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -134.41 76.47 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.857 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.577 ' O ' HD12 ' B' ' 374' ' ' ILE . 12.4 m -51.55 -28.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 64.02 111.096 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.58 -36.92 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.902 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -76.21 -34.77 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 64.21 110.888 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 22.5 t -58.07 -56.91 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 61.02 110.911 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.577 HD12 ' O ' ' B' ' 370' ' ' VAL . 2.7 mp -53.18 -34.52 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 64.33 111.133 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.06 -37.66 88.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 75.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.446 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.97 -54.3 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.15 111.138 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 41.4 mt -53.36 -35.43 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 72.3 110.888 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -67.67 -35.4 78.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 54.03 110.877 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.45 -50.95 40.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 62.51 110.917 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.735 HD12 ' HG ' ' A' ' 419' ' ' LEU . 2.8 tm? -54.88 -34.36 62.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 72.31 110.964 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.25 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.109 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.34 26.37 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 63.33 110.805 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 32.3 mt -120.08 113.89 21.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 71.02 110.975 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -84.92 54.44 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 65.43 110.879 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.54 135.64 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 70.11 111.116 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -80.12 171.25 15.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 45.24 111.143 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -35.94 73.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.84 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -59.27 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 74.44 110.904 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.79 -40.17 88.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.937 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.14 -51.03 71.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 62.03 111.103 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 391' ' ' GLN . . . . . 0.59 ' O ' HG23 ' B' ' 394' ' ' THR . 0.8 OUTLIER -53.41 -38.87 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 71.43 110.888 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -62.7 -35.34 79.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 54.25 110.872 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -95.17 35.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.834 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.59 HG23 ' O ' ' B' ' 391' ' ' GLN . 0.7 OUTLIER -52.6 -34.24 49.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 54.13 111.151 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.34 -50.55 69.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.861 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 396' ' ' MET . . . . . 0.498 ' CE ' HD22 ' B' ' 352' ' ' LEU . 53.8 ttp -56.05 -39.42 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.899 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.821 ' HA ' HD12 ' B' ' 400' ' ' LEU . 61.6 mt -67.5 -38.78 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 71.44 111.163 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 19.3 m -62.16 -44.45 96.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 55.43 111.143 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 88.6 m -62.22 -36.3 81.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 71.54 111.156 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' B' ' 397' ' ' ILE . 18.0 mt -57.97 -36.36 72.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.904 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -75.99 -28.7 57.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 60.31 110.877 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -75.44 -35.68 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 72.14 110.891 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.962 HG22 HD11 ' A' ' 365' ' ' ILE . 35.4 pt -73.48 -1.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 52.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -34.57 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.87 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.1 -19.38 7.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 65.42 110.833 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.509 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.43 117.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 70.24 110.844 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -173.13 133.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 62.2 110.864 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.83 127.34 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.148 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 8.3 t -64.3 172.24 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.829 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -73.29 -31.74 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 73.33 110.872 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 27.7 t -53.07 -44.25 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.1 111.135 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.531 HD11 ' HB ' ' A' ' 370' ' ' VAL . 74.7 mt -74.01 -42.43 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.34 111.103 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 19.5 mtm -59.44 -42.44 91.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.13 110.88 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -73.74 -33.41 64.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.929 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 415' ' ' LYS . . . . . 0.539 ' HE3' HG23 ' A' ' 374' ' ' ILE . 22.4 mttm -72.07 -36.68 69.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.915 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 64.2 p -62.13 -49.08 77.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 61.13 110.866 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.9 m -52.41 -35.23 51.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 52.43 111.141 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 27.7 ttp -59.12 -51.21 71.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.917 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.432 HD22 ' N ' ' B' ' 419' ' ' LEU . 3.2 mm? -73.3 -35.88 66.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 43.52 110.914 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -60.49 -46.92 88.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 75.05 110.911 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -40.4 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.926 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -54.34 -48.39 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.923 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.6 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 21.0 m-85 -74.54 -36.3 63.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 54.34 110.898 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -55.75 -50.28 70.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 71.03 110.908 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -35.57 56.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 62.42 110.9 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 8.4 mtm -75.54 -35.06 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.877 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 71.21 110.897 -179.984 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.899 0.38 . . . . 60.3 110.886 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.64 -39.42 65.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 71.15 110.9 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -35.19 64.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.887 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 10.1 t -69.68 -37.65 76.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 64.41 110.854 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 351' ' ' ARG . . . . . 0.441 HH11 HD22 ' A' ' 383' ' ' LEU . 8.5 ptp180 -75.38 -34.27 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.873 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.445 HD23 ' CG ' ' A' ' 393' ' ' HIS . 1.4 mp -68.12 -47.36 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.52 110.943 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.31 -29.01 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.892 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -35.51 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.89 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 352' ' ' LEU . 94.4 mt -58.13 -42.29 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 73.14 111.123 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -72.14 -51.03 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.84 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.23 81.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 63.02 111.107 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -55.09 -54.42 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 64.34 110.882 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.441 ' CG1' ' HB3' ' A' ' 376' ' ' ALA . 34.0 mt -64.59 -33.26 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.098 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -52.33 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 71.35 110.907 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -74.82 -30.04 61.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 61.12 110.899 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.6 p -74.56 -7.5 53.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 73.51 110.864 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 42.0 mt -115.58 26.05 10.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 63.44 110.971 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 169.81 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.939 179.816 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 0.993 HD11 HG22 ' B' ' 403' ' ' ILE . 5.9 tp -84.26 -37.91 13.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.13 111.155 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.49 -31.73 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 72.25 110.855 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -109.81 36.53 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 65.54 110.874 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.51 HD13 ' CD2' ' B' ' 406' ' ' PHE . 19.3 tp -53.27 107.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 61.41 110.876 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.96 81.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.15 110.87 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.597 ' HB ' HD11 ' B' ' 412' ' ' ILE . 10.3 m -61.62 -26.82 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.152 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -51.91 -39.6 59.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.892 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -34.2 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.84 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 37.7 t -53.42 -59.07 5.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 70.04 110.901 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.52 -40.18 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 55.44 111.154 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.25 -39.72 76.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.928 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.441 ' HB3' ' CG1' ' A' ' 359' ' ' ILE . . . -76.83 -50.16 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.09 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.459 HD11 HG23 ' B' ' 412' ' ' ILE . 62.4 mt -52.18 -40.5 61.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 72.3 110.947 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -35.5 79.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 44.25 110.858 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -64.08 -50.02 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 34.12 110.858 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 1.007 HD23 HD13 ' B' ' 419' ' ' LEU . 7.0 tp -53.75 -48.87 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 52.31 110.913 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.58 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -54.62 -25.8 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 53.33 111.098 179.778 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.1 t -80.66 -33.04 35.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 74.33 110.835 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.441 HD22 HH11 ' A' ' 351' ' ' ARG . 62.7 mt -75.26 114.53 13.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 63.21 110.901 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -77.07 63.14 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.896 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 385' ' ' VAL . . . . . 0.498 HG23 ' HB3' ' A' ' 389' ' ' GLN . 7.0 p -66.94 134.91 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 44.12 111.104 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -88.44 174.02 8.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 72.12 111.125 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -39.25 85.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.854 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -59.04 -46.79 87.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 70.25 110.937 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 389' ' ' GLN . . . . . 0.498 ' HB3' HG23 ' A' ' 385' ' ' VAL . 0.4 OUTLIER -73.19 -42.64 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 70.44 110.932 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.5 -49.35 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.076 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.93 -36.18 48.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.907 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -69.97 -35.67 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.12 110.895 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.445 ' CG ' HD23 ' A' ' 352' ' ' LEU . 76.9 m80 -95.4 35.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 70.14 110.838 179.909 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.544 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.1 OUTLIER -51.55 -40.1 59.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 63.35 111.135 -179.933 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -55.79 -44.11 77.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 65.31 110.865 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 1.1 ttm -56.09 -46.11 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.899 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.753 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.2 mt -62.32 -44.54 99.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 64.34 111.154 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 17.6 m -54.22 -36.31 63.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 71.25 111.167 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.1 m -69.19 -35.75 76.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 64.32 111.138 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 397' ' ' ILE . 19.4 mt -61.38 -35.7 78.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 73.43 110.914 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -76.3 -28.63 57.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.05 110.948 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -75.64 -34.84 60.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 71.01 110.903 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.029 HG22 HD11 ' B' ' 365' ' ' ILE . 37.1 pt -73.99 -1.78 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.44 111.161 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -33.56 40.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 64.01 110.882 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.24 -18.52 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.899 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.49 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.8 OUTLIER -40.89 121.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.918 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.44 137.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.88 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.19 131.67 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 43.23 111.123 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.6 t -66.9 171.16 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.868 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -72.72 -34.63 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.894 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.1 p -53.23 -40.83 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 73.11 111.137 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' B' ' 370' ' ' VAL . 93.7 mt -73.67 -48.77 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.096 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 12.7 mtm -57.3 -33.73 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 65.12 110.867 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -49.35 26.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.863 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -62.65 -38.06 88.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.892 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 78.1 p -55.16 -50.22 69.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.836 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 60.7 m -53.93 -45.59 71.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 73.02 111.14 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.8 tpt -51.68 -49.73 61.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.885 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 1.013 HD13 HD23 ' B' ' 380' ' ' LEU . 32.6 mt -71.65 -35.86 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 71.2 110.937 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -61.81 -60.68 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.932 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -56.86 -39.81 74.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 73.14 110.923 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -53.2 -46.05 68.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.918 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -75.26 -36.18 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -52.88 -57.9 8.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.42 110.883 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -51.93 -35.4 45.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 44.24 110.965 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.78 -34.82 64.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.873 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.455 ' CZ ' HD13 ' B' ' 397' ' ' ILE . 3.3 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.35 110.885 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.819 0.342 . . . . 65.44 110.86 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -40.38 64.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 74.02 110.85 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -35.27 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 75.42 110.886 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 9.9 t -69.22 -38.41 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 65.45 110.832 -179.764 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -75.11 -34.26 61.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 64.45 110.928 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' B' ' 383' ' ' LEU . 1.6 mp -67.76 -47.8 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 63.21 110.871 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.96 -28.99 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 64.41 110.924 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -35.92 57.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.908 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' B' ' 352' ' ' LEU . 88.5 mt -58.07 -42.03 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 75.43 111.119 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -71.94 -51.19 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.824 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.29 -42.12 81.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 75.04 111.101 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -54.99 -54.26 45.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.866 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.453 ' CG1' ' HB3' ' B' ' 376' ' ' ALA . 34.7 mt -64.63 -34.22 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 62.43 111.142 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -54.22 -52.18 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.3 110.884 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -74.84 -30.24 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.885 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.7 p -74.13 -7.63 53.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 71.21 110.814 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 47.8 mt -115.75 26.18 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 45.15 110.872 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 170.06 9.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.888 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.029 HD11 HG22 ' A' ' 403' ' ' ILE . 5.7 tp -84.29 -38.43 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.117 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.36 -31.64 15.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 64.14 110.878 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -109.75 36.55 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 65.1 110.914 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 406' ' ' PHE . 18.6 tp -53.38 107.4 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.923 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.1 81.85 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.903 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' A' ' 412' ' ' ILE . 10.7 m -62.06 -26.54 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 64.02 111.127 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -51.88 -39.58 59.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.891 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -34.36 59.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.82 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 47.2 t -53.24 -58.79 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 61.02 110.889 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.69 -40.45 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 64.33 111.079 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.92 -40.12 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 75.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.453 ' HB3' ' CG1' ' B' ' 359' ' ' ILE . . . -76.86 -49.77 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 73.15 111.129 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 377' ' ' LEU . . . . . 0.483 HD11 HG23 ' A' ' 412' ' ' ILE . 62.0 mt -52.15 -40.67 61.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.937 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -34.94 77.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 54.03 110.819 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -64.16 -49.41 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 62.51 110.869 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 1.013 HD23 HD13 ' A' ' 419' ' ' LEU . 7.6 tp -53.98 -49.91 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.904 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 381' ' ' ALA . . . . . 0.518 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -54.14 -25.98 25.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.129 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.1 t -79.73 -33.03 41.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 63.33 110.881 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 383' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' B' ' 352' ' ' LEU . 64.6 mt -76.02 115.06 15.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 71.02 110.956 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -77.16 63.32 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 65.43 110.906 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 385' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' B' ' 389' ' ' GLN . 7.0 p -66.93 134.9 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 70.11 111.13 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.5 t -88.51 173.77 8.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 45.24 111.116 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.11 88.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.841 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.16 -46.04 86.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 74.44 110.905 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 389' ' ' GLN . . . . . 0.493 ' HB3' HG23 ' B' ' 385' ' ' VAL . 0.4 OUTLIER -73.93 -41.47 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.92 -179.93 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.13 -49.78 75.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 62.03 111.101 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -51.74 -36.15 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 71.43 110.911 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -69.51 -36.01 76.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 54.25 110.892 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -95.41 35.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.813 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.527 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.1 OUTLIER -51.76 -40.41 60.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 54.13 111.151 -179.915 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -55.52 -41.59 73.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.94 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -49.2 77.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.908 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.75 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.2 mt -58.85 -44.84 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 71.44 111.124 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 398' ' ' THR . . . . . 0.412 HG22 ' HE2' ' B' ' 402' ' ' LYS . 15.5 m -54.01 -36.29 62.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 55.43 111.171 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.2 m -69.53 -36.12 76.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 71.54 111.165 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' B' ' 397' ' ' ILE . 17.1 mt -62.2 -35.12 77.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.934 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.22 -28.8 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 60.31 110.864 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 402' ' ' LYS . . . . . 0.412 ' HE2' HG22 ' B' ' 398' ' ' THR . 46.6 mttm -75.46 -35.76 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 72.14 110.882 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.993 HG22 HD11 ' A' ' 365' ' ' ILE . 36.9 pt -72.96 -1.82 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 52.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.86 -34.25 45.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.35 110.816 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.18 -20.04 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 65.42 110.818 -179.894 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.51 ' CD2' HD13 ' A' ' 368' ' ' LEU . 0.3 OUTLIER -40.2 120.38 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 70.24 110.886 -179.912 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.33 134.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.2 110.879 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.4 p -59.22 134.4 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 71.22 111.147 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.8 t -70.26 172.42 8.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 64.22 110.879 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -73.01 -34.65 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.898 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 411' ' ' VAL . . . . . 0.409 HG13 HG13 ' B' ' 412' ' ' ILE . 5.3 p -53.09 -40.97 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 73.1 111.105 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.597 HD11 ' HB ' ' A' ' 370' ' ' VAL . 94.7 mt -73.65 -48.66 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 71.34 111.14 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.7 mtm -57.37 -33.44 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.892 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -51.16 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.862 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -61.08 -38.77 87.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 74.32 110.852 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 78.6 p -55.09 -50.1 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 61.13 110.837 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 61.7 m -52.76 -45.89 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 52.43 111.149 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -51.74 -55.01 22.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 74.22 110.885 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 1.007 HD13 HD23 ' A' ' 380' ' ' LEU . 36.0 mt -66.46 -35.94 81.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 43.52 110.879 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -61.15 -61.25 2.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.938 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -58.18 -38.8 77.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 72.53 110.86 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -53.18 -46.01 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.924 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -75.46 -35.85 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 54.34 110.911 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -52.81 -57.76 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 71.03 110.925 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -51.85 -35.43 44.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 62.42 110.913 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.73 -34.36 64.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.867 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 71.21 110.868 -179.924 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.905 0.383 . . . . 60.3 110.893 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.8 tpt -53.47 -43.65 68.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 71.15 110.858 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.45 -36.04 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.881 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 57.9 m -63.87 -41.14 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.843 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -33.33 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.879 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.709 ' HA ' HD12 ' A' ' 355' ' ' ILE . 13.0 mt -71.23 -46.99 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.52 110.916 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -58.11 -27.55 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.925 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -77.02 -36.5 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.878 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 352' ' ' LEU . 23.3 mt -64.04 -36.96 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 73.14 111.109 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -71.99 -46.59 56.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.893 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.83 -39.42 83.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 63.02 111.099 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.98 -42.17 72.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 64.34 110.857 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.423 HG22 HD12 ' A' ' 363' ' ' LEU . 25.0 mt -74.4 -29.2 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 73.32 111.132 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -58.66 -52.2 66.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 71.35 110.911 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -73.35 -31.22 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 61.12 110.877 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -74.61 -6.24 47.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 73.51 110.86 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.423 HD12 HG22 ' A' ' 359' ' ' ILE . 38.9 mt -117.28 26.01 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 63.44 110.875 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 169.34 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.893 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 1.029 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.46 -38.61 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.13 111.147 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.16 -32.68 15.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.25 110.875 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -109.97 36.55 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 65.54 110.865 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' B' ' 406' ' ' PHE . 16.7 tp -53.18 107.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 61.41 110.914 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -129.05 77.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.902 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.77 ' HB ' HD11 ' B' ' 412' ' ' ILE . 15.3 m -59.22 -28.31 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 73.32 111.128 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -52.14 -39.19 59.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.873 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -33.95 60.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.85 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 32.7 t -53.37 -58.28 7.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 70.04 110.876 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.42 -47.36 58.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 55.44 111.122 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.35 -35.05 36.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.874 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.535 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.95 -51.22 11.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.24 111.078 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.88 -35.05 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 72.3 110.869 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -49.03 76.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 44.25 110.841 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.86 -46.47 87.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 34.12 110.888 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.597 HD11 ' HZ ' ' B' ' 423' ' ' PHE . 1.4 tm? -52.3 -47.73 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 52.31 110.948 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.68 76.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 53.33 111.05 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -73.71 -36.13 65.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.849 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 58.7 mt -67.71 110.58 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 63.21 110.916 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -77.37 61.52 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 74.02 110.923 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.22 138.28 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 44.12 111.152 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -93.92 173.16 7.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 72.12 111.102 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 11.6 tpt -57.04 -38.55 73.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.851 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -51.85 -59.17 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 70.25 110.895 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.19 -36.17 82.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 70.44 110.885 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.39 -49.31 74.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 73.34 111.14 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.46 -35.83 41.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.892 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 -34.09 59.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.853 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -95.09 35.59 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 70.14 110.875 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.576 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.9 OUTLIER -58.15 -35.18 71.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 63.35 111.127 -179.873 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.04 -42.89 91.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.884 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.617 ' HE1' HD22 ' A' ' 352' ' ' LEU . 11.9 ttp -55.19 -49.05 72.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.914 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.3 mt -58.23 -42.36 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 64.34 111.09 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 17.5 m -54.05 -37.52 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 71.25 111.173 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 73.5 m -70.36 -42.08 72.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 64.32 111.16 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 397' ' ' ILE . 32.0 mt -53.49 -38.98 64.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.932 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -76.23 -28.76 57.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 75.05 110.937 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -75.59 -34.51 60.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 71.01 110.874 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.061 HG22 HD11 ' B' ' 365' ' ' ILE . 40.8 pt -75.14 -2.22 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.44 111.098 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -34.5 54.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 64.01 110.929 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.75 -12.58 9.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.891 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.588 ' CD1' HD13 ' B' ' 368' ' ' LEU . 3.4 t80 -44.27 115.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.928 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -174.04 138.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.945 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.1 p -67.49 134.4 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 43.23 111.129 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 36.9 t -69.22 168.28 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.85 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -70.74 -36.11 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.903 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.5 p -53.42 -38.62 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 73.11 111.131 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.64 HD11 ' HB ' ' B' ' 370' ' ' VAL . 91.1 mt -75.0 -45.34 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.148 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 15.2 mtm -59.33 -51.32 70.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.12 110.882 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -62.91 -35.56 80.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.831 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -70.91 -38.62 72.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 75.21 110.862 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 416' ' ' SER . . . . . 0.479 ' HB2' HD11 ' B' ' 403' ' ' ILE . 49.2 p -61.04 -47.46 86.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 71.33 110.914 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 71.9 m -53.33 -41.42 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 73.02 111.099 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.7 ttp -55.21 -46.66 75.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.21 110.894 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.445 HD22 HD12 ' B' ' 380' ' ' LEU . 67.5 mt -74.32 -41.48 61.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 71.2 110.913 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -53.07 -54.47 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.945 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -63.08 -36.07 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 73.14 110.899 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -53.45 -53.52 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.898 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.576 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 21.6 m-85 -71.39 -36.02 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 74.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -56.35 -45.12 80.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 63.42 110.912 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.17 -35.43 77.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 44.24 110.923 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 17.0 mtm -76.05 -35.18 59.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 74.21 110.913 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 65.35 110.877 -179.931 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.915 0.388 . . . . 65.44 110.901 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.8 tpt -53.22 -43.61 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 74.02 110.877 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.99 -36.88 67.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.858 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 57.8 m -62.62 -41.37 98.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 65.45 110.842 -179.74 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -33.67 62.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 64.45 110.884 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.8 ' HA ' HD12 ' B' ' 355' ' ' ILE . 13.8 mt -71.33 -47.64 55.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 63.21 110.9 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -58.37 -29.17 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.41 110.901 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -74.69 -37.7 62.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 71.42 110.843 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' B' ' 352' ' ' LEU . 13.7 mt -63.38 -35.95 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.43 111.116 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -71.54 -44.02 65.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.87 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.58 77.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 75.04 111.085 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.13 -42.93 73.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.89 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.411 HG22 HD12 ' B' ' 363' ' ' LEU . 29.6 mt -71.97 -34.49 50.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 62.43 111.13 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -56.71 -48.05 78.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 74.3 110.887 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.65 -31.54 59.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.88 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 5.8 p -75.82 -5.68 47.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.849 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.411 HD12 HG22 ' B' ' 359' ' ' ILE . 45.8 mt -118.1 26.39 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 45.15 110.911 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 170.97 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.917 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.061 HD11 HG22 ' A' ' 403' ' ' ILE . 5.2 tp -84.4 -40.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 74.33 111.134 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.401 ' N ' HG23 ' B' ' 365' ' ' ILE . 10.4 p-10 -91.29 -32.27 15.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 64.14 110.863 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -109.05 36.47 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 65.1 110.882 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.588 HD13 ' CD1' ' A' ' 406' ' ' PHE . 15.7 tp -53.39 107.4 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.919 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -131.76 81.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.857 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.64 ' HB ' HD11 ' A' ' 412' ' ' ILE . 8.9 m -61.69 -26.79 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 64.02 111.128 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -51.96 -39.54 59.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.842 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -33.79 60.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 64.21 110.899 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 23.7 t -53.12 -57.93 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 61.02 110.891 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.49 -46.17 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 64.33 111.113 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.67 -35.44 42.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.65 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.9 -50.27 13.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 73.15 111.132 179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 377' ' ' LEU . . . . . 0.491 HD11 HG23 ' A' ' 412' ' ' ILE . 19.2 mt -52.09 -35.55 48.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.878 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -48.92 74.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 54.03 110.868 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.41 -46.63 86.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 62.51 110.866 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.576 HD11 ' HZ ' ' A' ' 423' ' ' PHE . 0.9 OUTLIER -52.47 -50.48 62.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.925 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -58.92 -34.02 71.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 71.22 111.075 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -74.37 -36.69 63.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 63.33 110.851 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.33 110.51 3.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 71.02 110.895 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.7 60.68 2.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 65.43 110.91 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -69.76 137.92 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 70.11 111.114 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -92.91 173.33 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 45.24 111.11 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 11.5 tpt -57.49 -38.43 74.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 75.31 110.93 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -51.78 -58.19 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.907 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.1 -36.24 81.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.906 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.61 75.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 62.03 111.124 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -52.0 -35.87 48.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 71.43 110.904 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -35.25 61.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 54.25 110.873 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -95.17 35.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.844 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.475 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.9 OUTLIER -58.3 -35.32 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 54.13 111.128 -179.86 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -41.27 85.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.866 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 396' ' ' MET . . . . . 0.686 ' HE1' HD22 ' B' ' 352' ' ' LEU . 8.9 ttp -55.36 -52.06 64.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.844 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.75 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.9 mp -54.68 -44.18 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 71.44 111.142 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 19.8 m -54.03 -35.28 61.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 55.43 111.194 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.5 m -72.68 -40.42 66.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 71.54 111.2 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' B' ' 397' ' ' ILE . 19.4 mt -57.44 -37.32 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.923 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -75.65 -28.61 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 60.31 110.904 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.69 -36.25 60.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.871 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 1.029 HG22 HD11 ' A' ' 365' ' ' ILE . 38.5 pt -73.23 -0.84 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 52.0 111.168 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -35.12 45.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.903 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.53 -19.0 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 65.42 110.848 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -39.93 117.66 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 70.24 110.911 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.35 141.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 62.2 110.936 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.418 HG13 ' CE2' ' A' ' 406' ' ' PHE . 15.6 m -69.4 133.86 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 71.22 111.116 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 36.1 t -69.11 164.7 21.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 64.22 110.883 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -63.7 -35.49 80.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.947 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -53.63 -36.52 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 73.1 111.12 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.77 HD11 ' HB ' ' A' ' 370' ' ' VAL . 91.5 mt -74.47 -46.64 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.34 111.137 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 14.1 mtm -61.34 -52.26 65.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 75.13 110.903 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.33 -36.17 75.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.925 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -71.19 -39.37 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.874 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 416' ' ' SER . . . . . 0.506 ' HB2' HD11 ' A' ' 403' ' ' ILE . 41.1 p -60.42 -48.42 81.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 61.13 110.885 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 57.6 m -52.5 -42.36 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 52.43 111.174 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 3.7 ttp -54.73 -46.47 74.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.22 110.913 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.507 HD22 HD12 ' A' ' 380' ' ' LEU . 60.2 mt -74.03 -42.69 59.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 43.52 110.923 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -51.14 -57.52 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 75.05 110.92 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -58.86 -35.34 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.869 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -54.55 -53.53 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.95 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.597 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 94.0 m-85 -70.52 -37.01 74.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 54.34 110.861 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -56.81 -45.88 81.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 71.03 110.927 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -35.94 76.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 62.42 110.901 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 17.7 mtm -76.63 -34.98 58.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.894 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.94 -179.985 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.882 0.372 . . . . 60.3 110.867 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.27 -38.58 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 71.15 110.922 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.56 -34.25 62.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 75.24 110.847 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 28.6 t -70.6 -37.46 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.879 -179.774 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 351' ' ' ARG . . . . . 0.661 ' CZ ' HD21 ' A' ' 383' ' ' LEU . 9.7 ptm180 -75.0 -34.15 61.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 74.54 110.93 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.558 ' HA ' HD12 ' A' ' 355' ' ' ILE . 0.9 OUTLIER -69.87 -47.54 62.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.895 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -57.6 -30.77 65.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.904 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -77.1 -37.21 54.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.873 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' A' ' 352' ' ' LEU . 20.3 mt -64.96 -41.87 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 73.14 111.129 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -72.32 -41.6 66.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.855 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.72 77.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 63.02 111.106 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.86 -45.63 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 64.34 110.888 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 33.7 mt -66.0 -32.54 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 73.32 111.111 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -54.54 -52.34 62.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 71.35 110.916 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -75.42 -26.9 58.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 61.12 110.857 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.4 p -77.52 -4.62 46.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.51 110.88 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 50.8 mt -120.11 25.75 9.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 63.44 110.965 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 169.91 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.13 110.925 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 1.042 HD11 HG22 ' B' ' 403' ' ' ILE . 6.0 tp -84.43 -38.49 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.13 111.131 179.879 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -92.43 -32.2 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.919 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -110.88 36.6 3.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 65.54 110.817 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 18.8 tp -53.15 107.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 61.41 110.845 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -127.77 76.96 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 74.15 110.896 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.761 ' HB ' HD11 ' B' ' 412' ' ' ILE . 15.0 m -58.83 -28.25 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.079 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -41.48 62.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.9 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -75.73 -35.3 60.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.871 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 49.3 t -53.72 -45.94 70.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 70.04 110.88 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 374' ' ' ILE . . . . . 0.508 HG23 ' HE3' ' B' ' 415' ' ' LYS . 4.1 mt -65.52 -48.19 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 55.44 111.132 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -51.7 -34.16 37.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.873 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.427 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.74 -53.84 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.094 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 20.6 mt -51.99 -35.78 47.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 72.3 110.9 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -44.09 91.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 44.25 110.836 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -46.59 89.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 34.12 110.901 -179.893 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.552 HD11 ' HZ ' ' B' ' 423' ' ' PHE . 1.1 tm? -52.23 -53.84 38.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 52.31 110.903 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.487 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -56.39 -35.24 67.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 53.33 111.088 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 2.3 t -66.27 -34.75 78.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.838 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.661 HD21 ' CZ ' ' A' ' 351' ' ' ARG . 84.3 mt -73.79 139.65 45.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 63.21 110.953 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -101.77 56.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.02 110.913 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.81 140.6 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 44.12 111.148 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.1 t -98.39 170.13 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.12 111.17 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -34.9 56.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.895 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -52.74 -59.25 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 70.25 110.943 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -36.38 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 70.44 110.903 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.99 84.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.34 111.104 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 391' ' ' GLN . . . . . 0.549 ' O ' HG23 ' A' ' 394' ' ' THR . 21.7 mt-30 -51.42 -36.19 42.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.942 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -75.51 -34.15 60.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.906 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.518 ' CG ' HD23 ' A' ' 352' ' ' LEU . 74.0 m80 -95.18 35.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 70.14 110.902 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 391' ' ' GLN . 1.8 p -57.95 -34.98 70.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 63.35 111.149 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.05 -42.61 90.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 65.31 110.892 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 36.5 ttp -55.32 -49.63 71.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.857 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.2 mt -57.41 -41.89 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 64.34 111.106 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 2.3 m -54.13 -37.53 64.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 71.25 111.186 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 91.5 m -70.95 -40.82 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 64.32 111.097 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 397' ' ' ILE . 36.7 mt -54.27 -38.03 65.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.925 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -76.48 -28.55 56.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.912 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -75.51 -34.64 60.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 71.01 110.89 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.055 HG22 HD11 ' B' ' 365' ' ' ILE . 38.2 pt -74.49 -2.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.163 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -34.13 58.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 64.01 110.878 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.43 -12.7 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.867 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.582 ' CE2' HD13 ' B' ' 368' ' ' LEU . 5.9 t80 -44.44 114.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.912 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -173.29 139.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.879 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.1 p -66.31 134.59 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 43.23 111.123 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.1 t -68.35 171.62 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.852 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -74.67 -32.94 62.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.925 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -58.62 -37.08 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 73.11 111.178 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.626 HD11 ' HB ' ' B' ' 370' ' ' VAL . 84.7 mt -75.16 -45.18 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.31 111.16 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 15.4 mtm -58.54 -49.88 75.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 65.12 110.919 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.05 -33.99 77.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 73.25 110.891 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.514 ' HE3' HG23 ' B' ' 374' ' ' ILE . 31.8 mttm -70.95 -35.83 72.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.886 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 416' ' ' SER . . . . . 0.453 ' HB2' HD11 ' B' ' 403' ' ' ILE . 52.4 p -63.63 -47.83 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.869 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 91.8 m -52.58 -41.71 63.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 73.02 111.122 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -52.21 -49.92 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.884 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' B' ' 381' ' ' ALA . 53.0 mt -74.35 -38.52 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 71.2 110.907 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -55.22 -45.46 75.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.975 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -36.24 70.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.936 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -55.48 -51.01 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.907 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.493 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 76.9 m-85 -73.76 -35.39 65.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 74.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -62.83 -36.37 82.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 63.42 110.91 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.27 -46.58 88.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 44.24 110.892 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 14.7 ptp -78.03 -33.33 51.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.843 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.451 ' CZ ' HG22 ' B' ' 394' ' ' THR . 1.9 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 65.35 110.834 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.859 0.361 . . . . 65.44 110.868 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.43 -38.44 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 74.02 110.884 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.18 -34.67 63.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.42 110.865 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 28.9 t -69.82 -35.9 75.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 65.45 110.897 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -76.63 -32.38 57.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 64.45 110.882 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.467 HD23 ' CG ' ' B' ' 393' ' ' HIS . 1.0 OUTLIER -73.76 -43.38 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 63.21 110.945 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -61.06 -40.45 93.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.959 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -70.88 -35.23 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 71.42 110.899 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 33.1 mt -65.4 -41.49 91.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 75.43 111.136 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -72.29 -38.39 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.852 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.83 -39.48 72.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 75.04 111.079 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.81 -43.35 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.897 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.405 HG23 ' SG ' ' B' ' 373' ' ' CYS . 30.5 mt -67.02 -35.5 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 62.43 111.106 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -55.96 -49.6 73.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.888 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -74.95 -29.52 60.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 75.2 110.901 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.1 p -77.78 -3.87 43.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 71.21 110.834 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 50.3 mt -120.61 26.28 9.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 45.15 110.94 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 171.24 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 72.41 110.88 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.055 HD11 HG22 ' A' ' 403' ' ' ILE . 5.6 tp -84.48 -39.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.116 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.407 ' N ' HG23 ' B' ' 365' ' ' ILE . 12.4 p-10 -91.97 -31.78 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 64.14 110.842 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -109.87 36.45 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 65.1 110.88 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.582 HD13 ' CE2' ' A' ' 406' ' ' PHE . 17.4 tp -53.1 107.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.939 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -129.85 80.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.12 110.838 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.626 ' HB ' HD11 ' A' ' 412' ' ' ILE . 8.8 m -61.18 -26.47 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 64.02 111.095 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -41.71 62.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.914 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -75.85 -35.01 60.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 64.21 110.876 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.405 ' SG ' HG23 ' B' ' 359' ' ' ILE . 41.9 t -53.71 -45.67 70.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 61.02 110.905 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.514 HG23 ' HE3' ' A' ' 415' ' ' LYS . 4.4 mt -65.41 -47.66 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 64.33 111.166 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.92 -35.45 45.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 75.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -74.0 -54.01 8.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 73.15 111.079 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.16 -35.98 50.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.945 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -42.24 95.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 54.03 110.877 179.836 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -47.82 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 62.51 110.886 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.493 HD11 ' HZ ' ' A' ' 423' ' ' PHE . 1.2 tm? -52.4 -54.36 33.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 72.31 110.888 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 381' ' ' ALA . . . . . 0.459 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -55.3 -34.93 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.103 179.84 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 2.3 t -68.32 -35.19 77.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 63.33 110.865 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.01 139.25 46.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 71.02 110.903 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -101.28 56.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 65.43 110.956 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.06 140.54 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 70.11 111.149 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -97.91 170.94 8.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 45.24 111.171 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -35.65 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.857 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -52.54 -59.15 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.94 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -36.03 75.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.927 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.27 87.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 62.03 111.085 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 391' ' ' GLN . . . . . 0.582 ' O ' HG23 ' B' ' 394' ' ' THR . 21.5 mt-30 -51.73 -35.79 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.43 110.887 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -75.5 -34.99 60.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 54.25 110.892 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 393' ' ' HIS . . . . . 0.467 ' CG ' HD23 ' B' ' 352' ' ' LEU . 72.7 m80 -95.14 35.68 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.837 179.894 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.582 HG23 ' O ' ' B' ' 391' ' ' GLN . 2.8 p -58.64 -37.6 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 54.13 111.128 -179.919 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.77 -42.49 75.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.34 110.901 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 396' ' ' MET . . . . . 0.403 ' HE3' HD21 ' B' ' 380' ' ' LEU . 39.7 ttp -55.35 -50.97 68.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.932 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.3 mt -57.55 -36.49 54.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.119 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 2.4 m -57.71 -36.33 71.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 55.43 111.126 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.1 m -74.03 -40.36 62.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 71.54 111.151 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' B' ' 397' ' ' ILE . 49.1 mt -51.98 -38.95 58.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.11 110.899 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -75.75 -28.93 58.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 60.31 110.85 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -74.68 -36.4 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.884 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 1.042 HG22 HD11 ' A' ' 365' ' ' ILE . 35.7 pt -73.38 -0.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 52.0 111.089 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -34.49 41.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 71.35 110.88 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.55 -19.27 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 65.42 110.847 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.479 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -39.83 117.83 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 70.24 110.888 -179.907 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -175.07 142.36 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 62.2 110.888 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 19.4 m -71.28 132.01 33.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.125 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 34.7 t -67.42 164.83 17.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.864 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -63.45 -35.11 79.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 73.33 110.917 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.8 p -54.32 -35.83 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 73.1 111.147 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.761 HD11 ' HB ' ' A' ' 370' ' ' VAL . 95.3 mt -74.68 -47.52 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 71.34 111.165 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.6 mtt -60.89 -50.6 72.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.91 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -61.72 -34.58 76.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.91 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 415' ' ' LYS . . . . . 0.508 ' HE3' HG23 ' A' ' 374' ' ' ILE . 33.9 mttm -73.02 -35.08 66.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 74.32 110.884 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 416' ' ' SER . . . . . 0.497 ' HB2' HD11 ' A' ' 403' ' ' ILE . 36.5 p -63.57 -48.37 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 61.13 110.897 -179.878 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.7 m -52.36 -41.32 62.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 52.43 111.153 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -52.55 -50.35 63.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.22 110.834 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 381' ' ' ALA . 53.9 mt -74.11 -37.86 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 43.52 110.936 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -56.43 -44.05 80.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.05 110.929 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -38.18 65.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 72.53 110.854 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -53.71 -51.09 64.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 71.45 110.9 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.552 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 21.4 m-85 -74.9 -34.24 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 54.34 110.838 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -62.99 -34.82 78.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.03 110.907 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.07 -46.17 91.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 62.42 110.895 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 14.5 ptp -77.55 -33.24 54.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.854 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 71.21 110.872 -179.91 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.88 0.371 . . . . 60.3 110.808 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.8 tpt -53.51 -37.74 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 71.15 110.904 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.61 -35.75 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 75.24 110.891 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 13.1 t -67.95 -37.48 81.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 64.41 110.894 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 351' ' ' ARG . . . . . 0.443 HH11 HD22 ' A' ' 383' ' ' LEU . 8.5 ptp180 -75.94 -33.84 59.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.54 110.851 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.675 ' HA ' HD12 ' A' ' 355' ' ' ILE . 1.5 mp -71.21 -47.98 54.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.904 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -55.6 -29.8 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 72.33 110.897 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.0 -41.17 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.859 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 352' ' ' LEU . 23.3 mt -58.54 -41.08 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.122 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -72.02 -46.57 56.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.853 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.01 97.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 63.02 111.083 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -55.05 -52.18 64.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 64.34 110.872 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.462 HG22 HD12 ' A' ' 363' ' ' LEU . 45.5 mt -55.7 -35.38 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 73.32 111.14 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -59.26 -47.27 86.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.877 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -75.52 -30.9 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 61.12 110.9 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 7.9 p -78.1 -3.07 40.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.863 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.462 HD12 HG22 ' A' ' 359' ' ' ILE . 51.9 mt -121.45 26.25 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 63.44 110.892 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 171.14 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 73.13 110.874 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 1.072 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.44 -40.81 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 75.13 111.122 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 366' ' ' ASP . . . . . 0.421 ' N ' HG23 ' A' ' 365' ' ' ILE . 3.6 p30 -92.43 -32.63 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.831 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -109.02 36.27 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 65.54 110.881 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.439 HD13 ' CD1' ' B' ' 406' ' ' PHE . 18.2 tp -53.52 107.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 61.41 110.933 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -125.37 69.21 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.933 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.677 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.7 m -52.23 -29.05 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.14 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -52.02 -41.41 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.881 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -33.78 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 74.44 110.878 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 35.4 t -53.3 -46.16 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 70.04 110.9 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -66.08 -48.2 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 55.44 111.143 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.8 -35.23 43.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.873 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.426 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.83 -54.1 7.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.24 111.064 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 84.2 mt -52.75 -38.98 61.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 72.3 110.893 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -36.05 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 44.25 110.902 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.26 -47.78 66.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 34.12 110.891 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.713 HD12 HD13 ' B' ' 419' ' ' LEU . 3.1 tm? -56.16 -35.72 67.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 52.31 110.953 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.544 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -70.34 -36.49 74.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 53.33 111.114 179.795 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 7.1 t -71.64 -36.45 70.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.854 -179.767 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.443 HD22 HH11 ' A' ' 351' ' ' ARG . 89.9 mt -63.02 145.7 54.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 63.21 110.864 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -97.59 62.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.896 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.95 136.89 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 44.12 111.096 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -106.68 170.72 7.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 72.12 111.176 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.76 -37.29 59.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.904 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -51.95 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.25 110.94 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -40.14 65.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 70.44 110.949 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.5 75.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.051 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 391' ' ' GLN . . . . . 0.53 ' O ' HG23 ' A' ' 394' ' ' THR . 1.1 mm100 -52.22 -36.7 52.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 75.25 110.924 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -80.04 -36.06 36.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 71.12 110.878 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.504 ' CG ' HD23 ' A' ' 352' ' ' LEU . 80.3 m80 -96.04 35.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 70.14 110.832 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 391' ' ' GLN . 12.6 p -60.59 -34.16 73.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 63.35 111.089 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.17 -45.77 75.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 65.31 110.894 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 58.8 ttp -59.8 -38.96 83.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.877 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.772 ' HA ' HD12 ' A' ' 400' ' ' LEU . 42.6 mt -69.03 -34.78 65.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 64.34 111.108 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 45.8 m -61.97 -40.88 97.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 71.25 111.135 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 84.8 m -64.79 -37.93 89.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 64.32 111.171 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 397' ' ' ILE . 15.5 mt -53.7 -35.23 60.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.917 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -76.58 -28.53 56.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.901 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -75.82 -35.32 60.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 71.01 110.889 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.071 HG22 HD11 ' B' ' 365' ' ' ILE . 36.3 pt -73.11 -2.18 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.118 179.885 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -34.16 49.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 64.01 110.914 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.43 -20.06 7.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.876 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.594 ' HE1' HG13 ' B' ' 408' ' ' VAL . 0.9 OUTLIER -42.12 117.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.863 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -179.56 136.29 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.926 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.545 HG13 ' HE2' ' B' ' 406' ' ' PHE . 1.4 m -51.63 157.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 43.23 111.102 179.872 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 40.5 t -97.86 155.69 16.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.885 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -51.77 -35.59 44.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.895 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.66 -39.76 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.11 111.134 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.718 HD11 ' HB ' ' B' ' 370' ' ' VAL . 78.8 mt -71.43 -50.34 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.31 111.131 179.895 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 18.3 mtm -60.22 -30.58 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 65.12 110.865 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.38 -53.4 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.896 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -56.95 -39.69 75.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.905 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 90.1 p -55.23 -53.39 56.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.858 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 86.7 m -52.78 -35.7 57.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.09 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -51.43 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.21 110.848 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.737 HD13 HD12 ' B' ' 380' ' ' LEU . 18.7 mt -72.15 -36.02 69.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 71.2 110.897 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -60.12 -44.71 94.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.925 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -72.77 -40.33 66.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.923 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -53.97 -45.66 71.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.906 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.407 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 35.3 m-85 -70.7 -38.56 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 74.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -52.0 -55.38 20.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.898 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -51.93 -35.43 45.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 44.24 110.886 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 27.7 mtm -75.29 -34.45 61.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.21 110.923 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.905 -179.974 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.861 0.362 . . . . 65.44 110.849 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.2 tpt -53.21 -37.92 62.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 74.02 110.913 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.02 -35.73 66.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.832 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.0 t -68.09 -38.31 82.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 65.45 110.839 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -75.86 -35.04 60.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 64.45 110.848 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.748 ' HA ' HD12 ' B' ' 355' ' ' ILE . 11.9 mt -71.47 -48.15 51.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 63.21 110.904 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -56.52 -30.67 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 64.41 110.915 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.37 -41.28 61.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.42 110.881 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' B' ' 352' ' ' LEU . 14.8 mt -59.5 -41.28 84.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.43 111.129 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -68.93 -44.06 73.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.875 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.51 93.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 75.04 111.089 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -55.19 -50.31 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.898 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.471 HG22 HD12 ' B' ' 363' ' ' LEU . 47.0 mt -57.44 -35.22 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 62.43 111.083 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -59.13 -47.33 85.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 74.3 110.873 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -75.67 -30.8 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.876 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 7.1 p -78.38 -2.56 38.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.895 -179.863 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.471 HD12 HG22 ' B' ' 359' ' ' ILE . 47.9 mt -121.45 25.77 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 45.15 110.967 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 170.29 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.914 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.071 HD11 HG22 ' A' ' 403' ' ' ILE . 6.1 tp -84.63 -39.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.115 179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.404 ' N ' HG23 ' B' ' 365' ' ' ILE . 3.6 p30 -92.74 -32.14 14.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 64.14 110.875 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -110.9 36.67 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.878 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 406' ' ' PHE . 18.3 tp -53.35 107.54 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 73.24 110.93 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -124.66 68.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.12 110.902 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.718 ' HB ' HD11 ' A' ' 412' ' ' ILE . 6.6 m -51.82 -29.51 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 64.02 111.139 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -51.81 -41.56 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.44 110.857 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -33.79 60.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.895 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.8 t -53.16 -46.78 69.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.889 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.57 -47.41 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.33 111.145 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.13 -35.63 48.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 75.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.611 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.66 -53.95 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.15 111.102 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 84.5 mt -52.24 -36.06 51.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.892 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -35.86 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 54.03 110.847 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.98 -50.22 62.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 62.51 110.888 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.737 HD12 HD13 ' A' ' 419' ' ' LEU . 3.1 tm? -54.8 -37.76 66.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 72.31 110.887 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 381' ' ' ALA . . . . . 0.535 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -68.37 -37.96 80.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 71.22 111.113 179.797 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 7.1 t -71.4 -36.66 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 63.33 110.861 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.14 145.35 55.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 71.02 110.937 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -97.16 61.93 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 65.43 110.914 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.67 136.72 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 70.11 111.088 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.3 t -106.82 170.76 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 45.24 111.136 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -37.75 56.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.857 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -52.04 64.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.941 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -40.39 66.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.12 110.958 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.73 74.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 62.03 111.108 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 391' ' ' GLN . . . . . 0.573 ' O ' HG23 ' B' ' 394' ' ' THR . 1.1 mm100 -52.02 -36.47 50.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.928 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -79.91 -36.26 36.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 54.25 110.917 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -95.53 35.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.861 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.573 HG23 ' O ' ' B' ' 391' ' ' GLN . 12.7 p -59.87 -34.43 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 54.13 111.1 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -47.17 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 74.34 110.911 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 58.9 ttp -58.25 -40.39 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.866 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.763 ' HA ' HD12 ' B' ' 400' ' ' LEU . 44.6 mt -67.49 -35.04 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 71.44 111.14 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 45.0 m -61.93 -41.11 97.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 55.43 111.119 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.5 m -64.44 -38.44 91.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 71.54 111.172 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' B' ' 397' ' ' ILE . 16.5 mt -53.19 -35.04 59.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.926 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -76.75 -28.88 55.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 60.31 110.871 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -76.02 -34.87 59.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.14 110.913 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 1.072 HG22 HD11 ' A' ' 365' ' ' ILE . 41.0 pt -73.54 -1.91 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 52.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -33.14 37.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.837 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.5 -20.39 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 65.42 110.883 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.545 ' HE2' HG13 ' A' ' 408' ' ' VAL . 0.6 OUTLIER -42.83 115.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 70.24 110.895 -179.902 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -177.4 132.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 62.2 110.881 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.594 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.4 m -53.58 144.77 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.133 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 39.9 t -84.29 158.68 21.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.859 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -54.54 -37.72 65.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.33 110.903 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 5.6 p -56.38 -40.7 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 73.1 111.173 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.677 HD11 ' HB ' ' A' ' 370' ' ' VAL . 78.3 mt -71.14 -49.45 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 71.34 111.172 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.3 mtm -60.76 -31.19 70.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 75.13 110.897 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.93 -52.62 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 74.42 110.901 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -58.18 -39.5 79.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.32 110.909 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 91.7 p -55.18 -53.05 60.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 61.13 110.859 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.3 m -52.68 -36.56 57.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 52.43 111.153 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -51.41 70.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.95 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.713 HD13 HD12 ' A' ' 380' ' ' LEU . 18.0 mt -71.78 -36.62 70.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 43.52 110.958 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.12 -44.71 94.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.877 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -72.57 -40.67 66.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 72.53 110.849 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -53.85 -45.88 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 71.45 110.945 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.435 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 32.7 m-85 -70.27 -38.32 75.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 54.34 110.87 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -52.29 -54.78 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 71.03 110.859 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -52.31 -35.31 50.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.859 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 27.9 mtm -75.26 -34.45 61.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.876 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 427' ' ' PHE . . . . . 0.473 ' HZ ' HG22 ' A' ' 394' ' ' THR . 9.9 m-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 71.21 110.858 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 34.8 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.846 0.355 . . . . 60.3 110.821 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.2 tpt -63.32 -36.27 83.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 71.15 110.916 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -73.51 -37.1 65.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.894 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 19.2 m -63.22 -39.44 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 64.41 110.846 -179.756 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 351' ' ' ARG . . . . . 0.64 HH11 HD22 ' A' ' 383' ' ' LEU . 8.3 ptp180 -76.14 -32.92 59.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.861 -179.907 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.34 -32.95 61.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.886 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -32.86 70.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.934 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -78.75 -37.84 40.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.847 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 36.1 mt -61.03 -37.56 77.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.101 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.43 -49.93 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.873 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.52 91.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 63.02 111.105 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -54.89 -37.96 66.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 64.34 110.866 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 30.5 mt -74.12 -30.28 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.32 111.132 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -52.57 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.873 179.886 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -72.81 -27.13 61.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 61.12 110.884 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.5 p -77.2 -13.19 59.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 73.51 110.873 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.459 HD21 ' SG ' ' A' ' 373' ' ' CYS . 54.2 mt -113.75 25.94 10.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 63.44 110.926 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 169.5 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.924 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 1.038 HD11 HG22 ' B' ' 403' ' ' ILE . 6.1 tp -84.71 -41.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 75.13 111.118 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 366' ' ' ASP . . . . . 0.449 ' N ' HG23 ' A' ' 365' ' ' ILE . 38.4 t0 -91.18 -32.23 15.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.869 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -109.7 36.18 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 65.54 110.896 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.581 HD13 ' CD2' ' B' ' 406' ' ' PHE . 14.7 tp -55.38 107.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 61.41 110.924 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -125.23 71.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.876 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.65 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.7 m -51.05 -30.38 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 73.32 111.186 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -52.06 -40.29 60.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 71.21 110.887 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -33.52 59.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.854 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.459 ' SG ' HD21 ' A' ' 363' ' ' LEU . 11.0 t -53.26 -55.08 27.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 70.04 110.883 -179.896 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -59.11 -37.01 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 55.44 111.144 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.23 -36.76 78.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.904 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.83 -53.64 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.24 111.126 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.411 HD22 HD12 ' B' ' 419' ' ' LEU . 69.4 mt -52.15 -35.79 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.3 110.908 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.1 -48.86 78.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 44.25 110.919 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -57.55 -49.93 74.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 34.12 110.922 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.679 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.2 tm? -52.59 -36.87 56.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 52.31 110.924 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.459 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -70.38 -35.67 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 53.33 111.083 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.77 -35.63 62.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.873 -179.779 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.64 HD22 HH11 ' A' ' 351' ' ' ARG . 88.1 mt -68.78 119.32 12.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 63.21 110.882 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -79.92 71.51 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.02 110.868 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.4 p -79.89 144.08 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 44.12 111.146 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.3 t -96.44 174.9 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.12 111.136 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -38.09 81.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.889 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -52.19 -59.35 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 70.25 110.882 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.44 -35.43 80.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 70.44 110.864 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.86 92.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 73.34 111.119 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -51.61 -36.08 44.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.886 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -74.05 -33.78 63.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 71.12 110.915 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -95.13 35.59 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 70.14 110.834 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -34.92 63.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.35 111.154 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.06 -44.88 91.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 65.31 110.885 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 49.2 ttp -55.15 -53.23 58.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.92 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.1 mt -56.94 -39.87 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 64.34 111.129 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 85.9 m -54.04 -39.51 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.25 111.158 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 89.1 m -68.55 -40.61 80.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 64.32 111.083 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 397' ' ' ILE . 59.0 mt -51.83 -38.77 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 73.43 110.924 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -28.92 57.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 75.05 110.908 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -74.94 -35.92 62.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 71.01 110.892 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.038 HG22 HD11 ' B' ' 365' ' ' ILE . 36.3 pt -73.11 -1.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.44 111.132 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -78.52 -34.52 47.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.887 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.84 -20.17 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.816 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.572 ' HE1' HG13 ' B' ' 408' ' ' VAL . 0.6 OUTLIER -41.29 115.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 75.04 110.882 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -176.98 138.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.925 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.588 HG13 ' HE1' ' B' ' 406' ' ' PHE . 2.5 m -57.54 143.89 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 43.23 111.135 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 409' ' ' SER . . . . . 0.434 ' H ' HD12 ' A' ' 412' ' ' ILE . 29.4 t -82.79 157.1 23.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.857 -179.833 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -51.78 -40.27 60.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.974 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.2 -41.06 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.11 111.082 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.676 HD11 ' HB ' ' B' ' 370' ' ' VAL . 80.5 mt -68.86 -45.4 80.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 74.31 111.099 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.8 mtm -64.99 -33.84 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 65.12 110.851 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.22 -53.53 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.882 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -56.81 -40.82 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 75.21 110.864 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 416' ' ' SER . . . . . 0.412 ' HB2' HD11 ' B' ' 403' ' ' ILE . 59.3 p -55.64 -49.68 72.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 71.33 110.839 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 31.4 m -53.56 -46.52 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 73.02 111.137 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 24.3 ttp -52.55 -52.07 56.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.906 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' B' ' 381' ' ' ALA . 68.2 mt -66.58 -42.26 87.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.936 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -55.15 -53.82 51.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.95 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -61.76 -36.35 80.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.86 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -54.52 -53.88 48.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.894 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.535 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 23.2 m-85 -75.62 -36.21 60.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -58.75 -43.56 90.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 63.42 110.906 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -61.91 -35.26 77.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 44.24 110.832 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 48.7 mtm -76.32 -35.32 58.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.897 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.429 ' CE2' HD13 ' B' ' 397' ' ' ILE . 18.7 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 65.35 110.88 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.83 0.348 . . . . 65.44 110.863 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.0 tpt -62.21 -36.68 82.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 74.02 110.896 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.36 -35.29 65.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.86 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 20.4 m -64.85 -40.1 94.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 65.45 110.871 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 351' ' ' ARG . . . . . 0.408 HH11 HD22 ' B' ' 383' ' ' LEU . 8.6 ptp180 -75.2 -35.48 61.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 64.45 110.877 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.562 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.4 mp -71.49 -47.92 52.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 63.21 110.941 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -29.96 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 64.41 110.891 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -76.78 -43.07 38.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.855 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.6 mt -59.47 -34.77 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.43 111.129 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -71.83 -51.14 23.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.867 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.08 -41.26 99.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.04 111.12 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.59 -36.23 64.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.879 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 34.7 mt -74.37 -34.57 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 62.43 111.104 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -56.81 -51.39 69.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.3 110.887 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.12 -31.34 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.894 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.4 p -75.59 -10.92 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 71.21 110.888 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 48.6 mt -114.78 26.44 10.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 45.15 110.95 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 170.07 11.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.932 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.038 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.54 -42.38 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.33 111.127 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.446 ' N ' HG23 ' B' ' 365' ' ' ILE . 38.4 t0 -90.87 -32.22 16.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 64.14 110.894 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -109.41 36.23 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 65.1 110.877 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 406' ' ' PHE . 14.8 tp -55.67 107.65 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 73.24 110.884 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -125.03 71.29 1.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.878 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.676 ' HB ' HD11 ' A' ' 412' ' ' ILE . 6.6 m -51.29 -30.39 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 64.02 111.074 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -52.03 -40.07 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.851 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -33.78 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 64.21 110.916 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 11.1 t -53.33 -55.66 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 61.02 110.842 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.38 -35.9 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 64.33 111.132 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.84 -36.84 82.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.833 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.502 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.61 -52.46 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 73.15 111.091 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 69.5 mt -52.29 -35.73 51.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.3 110.926 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -63.43 -48.33 78.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 54.03 110.934 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.99 -50.02 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 62.51 110.856 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.626 HD13 ' O ' ' B' ' 380' ' ' LEU . 1.3 tm? -53.28 -39.47 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 72.31 110.903 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 381' ' ' ALA . . . . . 0.459 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -67.54 -33.97 76.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.117 179.813 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -35.91 58.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 63.33 110.858 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 383' ' ' LEU . . . . . 0.408 HD22 HH11 ' B' ' 351' ' ' ARG . 88.3 mt -68.63 120.09 14.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 71.02 110.888 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -80.96 70.21 7.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 65.43 110.961 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -79.39 143.15 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 70.11 111.157 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.4 t -95.29 174.59 6.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 45.24 111.109 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -38.31 84.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.883 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -51.89 -58.29 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.862 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.36 -35.85 82.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.898 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.03 88.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 62.03 111.109 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -51.86 -35.94 46.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.872 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -72.93 -34.93 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 54.25 110.899 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.14 35.58 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.859 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.416 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.5 OUTLIER -53.8 -35.8 61.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 54.13 111.185 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.68 -43.53 85.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.912 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 42.1 ttp -55.65 -54.6 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.878 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.714 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.9 mt -54.09 -41.65 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 71.44 111.104 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 94.0 m -54.14 -38.59 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 55.43 111.144 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.8 m -69.07 -41.93 76.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.54 111.151 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' B' ' 397' ' ' ILE . 34.8 mt -53.02 -37.62 61.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.92 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -28.76 56.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 60.31 110.912 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -75.53 -35.46 60.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 72.14 110.907 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 1.038 HG22 HD11 ' A' ' 365' ' ' ILE . 36.6 pt -73.15 -1.61 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 52.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -78.46 -34.44 47.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.35 110.884 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.86 -20.09 7.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 65.42 110.846 -179.901 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.588 ' HE1' HG13 ' A' ' 408' ' ' VAL . 0.8 OUTLIER -40.98 115.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 70.24 110.862 -179.897 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -176.65 139.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 62.2 110.924 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.572 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.3 m -58.09 145.76 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 71.22 111.148 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.9 t -85.89 156.27 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 64.22 110.898 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -51.8 -36.06 46.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 73.33 110.903 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.59 -40.6 82.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 73.1 111.115 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.65 HD11 ' HB ' ' A' ' 370' ' ' VAL . 75.9 mt -70.94 -48.39 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 71.34 111.119 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 23.7 mtm -62.36 -31.59 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.886 179.839 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -73.38 -53.22 11.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.863 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -57.99 -40.0 79.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.929 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 81.3 p -55.21 -50.48 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 61.13 110.825 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 30.8 m -53.02 -47.03 68.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 52.43 111.124 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 24.7 ttp -51.87 -51.64 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.816 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 381' ' ' ALA . 80.1 mt -66.75 -44.05 82.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 43.52 110.911 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -52.79 -56.7 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.92 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -58.1 -35.48 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.893 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -55.16 -53.15 59.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 71.45 110.858 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.604 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 89.0 m-85 -75.04 -38.57 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 54.34 110.908 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -57.6 -44.54 85.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 71.03 110.912 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -60.82 -35.96 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 62.42 110.898 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 48.5 mtm -76.88 -35.13 57.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.896 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 427' ' ' PHE . . . . . 0.459 ' CE2' HD13 ' A' ' 397' ' ' ILE . 17.4 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 71.21 110.885 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.834 0.35 . . . . 60.3 110.845 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -36.95 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 71.15 110.83 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.49 -38.27 65.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 75.24 110.842 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.3 m -60.78 -42.09 96.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.88 -179.747 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -74.88 -32.92 61.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.887 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 355' ' ' ILE . 2.5 mp -73.32 -32.31 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.88 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -69.5 -35.4 75.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.922 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -77.91 -37.38 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.881 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 352' ' ' LEU . 27.7 mt -57.48 -41.08 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 73.14 111.147 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -72.44 -49.89 30.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.865 179.865 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.15 85.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 63.02 111.064 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -54.72 -39.38 68.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 64.34 110.86 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.473 HG23 ' SG ' ' A' ' 373' ' ' CYS . 37.1 mt -69.42 -33.06 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 73.32 111.086 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -62.9 -52.31 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.35 110.876 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -68.35 -28.5 67.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 61.12 110.942 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 24.3 p -77.43 -29.17 52.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 73.51 110.871 -179.856 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 40.8 mt -94.57 26.78 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 63.44 110.881 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 170.21 9.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.13 110.894 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 0.928 HD11 HG22 ' B' ' 403' ' ' ILE . 5.3 tp -84.81 -40.33 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 75.13 111.142 179.811 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 366' ' ' ASP . . . . . 0.406 ' N ' HG23 ' A' ' 365' ' ' ILE . 3.6 p30 -89.82 -33.92 16.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 72.25 110.891 179.835 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -106.19 36.34 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 65.54 110.908 -179.892 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.486 HD13 ' CD2' ' B' ' 406' ' ' PHE . 15.6 tp -56.18 107.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 61.41 110.867 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -134.48 77.85 1.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.15 110.898 179.82 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.633 ' HB ' HD11 ' B' ' 412' ' ' ILE . 13.9 m -51.35 -29.32 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.32 111.132 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -51.87 -38.64 56.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.916 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.06 -35.2 59.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.859 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.473 ' SG ' HG23 ' A' ' 359' ' ' ILE . 5.5 t -53.74 -59.53 4.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 70.04 110.924 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 374' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 370' ' ' VAL . 3.1 mt -53.5 -44.3 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 55.44 111.127 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.75 -37.24 50.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.888 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.19 -54.2 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.24 111.078 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.535 HD22 HD12 ' B' ' 419' ' ' LEU . 88.4 mt -52.44 -37.15 56.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.895 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -44.58 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 44.25 110.84 179.891 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.67 -44.13 94.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 34.12 110.898 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.684 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.6 tm? -60.82 -35.26 76.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 52.31 110.941 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.458 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -69.84 -37.93 76.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 53.33 111.107 179.776 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.0 t -67.9 -34.91 77.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.84 -179.757 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.25 150.12 49.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 63.21 110.921 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -109.75 54.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.966 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 4.6 p -66.83 140.89 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 44.12 111.112 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 386' ' ' THR . . . . . 0.415 HG23 ' HB2' ' A' ' 388' ' ' GLN . 14.3 t -102.98 171.3 7.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 72.12 111.142 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 4.1 ttt -55.03 -35.49 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.887 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 388' ' ' GLN . . . . . 0.415 ' HB2' HG23 ' A' ' 386' ' ' THR . 1.4 mt-30 -53.69 -56.77 14.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 70.25 110.908 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -74.06 -35.97 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 70.44 110.923 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.21 88.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.112 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 391' ' ' GLN . . . . . 0.556 ' O ' HG23 ' A' ' 394' ' ' THR . 3.1 mt-30 -51.51 -42.65 61.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.887 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -66.3 -34.51 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 71.12 110.932 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -95.11 35.72 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 70.14 110.87 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.629 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.7 OUTLIER -52.19 -35.14 48.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 63.35 111.158 -179.926 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -46.52 88.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 65.31 110.908 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -55.2 -37.75 67.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.869 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.816 ' HA ' HD12 ' A' ' 400' ' ' LEU . 4.2 mt -70.12 -42.27 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 64.34 111.111 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 87.4 m -55.92 -46.6 78.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 71.25 111.119 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 25.9 m -57.67 -43.7 85.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 64.32 111.136 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 397' ' ' ILE . 19.8 mt -52.13 -37.07 53.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.896 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -28.79 57.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.908 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -75.5 -35.1 60.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 71.01 110.903 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 0.916 HG22 HD11 ' B' ' 365' ' ' ILE . 36.1 pt -73.76 -1.36 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 75.44 111.12 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -34.74 41.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 64.01 110.911 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.06 -14.99 8.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.88 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.513 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -43.39 121.38 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.869 -179.927 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -177.52 142.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.876 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.0 p -70.55 135.8 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 43.23 111.157 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -72.8 173.7 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.846 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -73.15 -32.99 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 74.23 110.951 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.93 -42.56 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 73.11 111.13 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.663 HD11 ' HB ' ' B' ' 370' ' ' VAL . 22.6 mt -74.0 -49.95 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.11 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 31.2 mtm -55.25 -33.99 63.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 65.12 110.888 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.74 -52.85 13.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.88 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -59.44 -40.41 86.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.886 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.2 p -54.97 -47.39 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.826 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 58.3 m -57.22 -45.66 83.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 73.02 111.189 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 30.1 ttp -53.54 -44.7 69.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 71.21 110.907 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.685 HD13 HD12 ' B' ' 380' ' ' LEU . 50.3 mt -73.53 -43.37 60.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.904 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -55.07 -55.12 34.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.953 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -58.83 -35.85 73.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 73.14 110.879 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -55.22 -52.04 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.909 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -74.28 -36.74 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -56.14 -54.16 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 63.42 110.897 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -53.5 -34.52 58.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 44.24 110.873 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 33.8 mtm -78.27 -29.46 47.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.896 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 65.35 110.846 -179.891 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.919 0.39 . . . . 65.44 110.894 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 348' ' ' MET . . . . . 0.414 ' O ' HD12 ' B' ' 352' ' ' LEU . 0.4 OUTLIER -55.49 -37.51 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 74.02 110.896 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.03 -36.37 66.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.903 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -64.23 -40.91 97.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 65.45 110.83 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 351' ' ' ARG . . . . . 0.401 ' HE ' HD21 ' B' ' 383' ' ' LEU . 6.5 ptm85 -75.9 -35.34 59.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 64.45 110.873 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.727 ' HA ' HD12 ' B' ' 355' ' ' ILE . 7.8 mt -70.4 -47.81 59.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 63.21 110.945 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -55.84 -31.1 62.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 64.41 110.902 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -76.84 -42.99 38.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.42 110.846 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.2 mt -55.89 -37.09 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.43 111.074 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -71.78 -51.07 24.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.872 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.48 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.117 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -55.08 -40.41 70.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.879 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.446 HG23 ' SG ' ' B' ' 373' ' ' CYS . 34.7 mt -68.45 -33.26 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 62.43 111.148 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -62.23 -52.16 64.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.913 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -68.89 -28.04 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 75.2 110.934 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 22.9 p -77.44 -29.34 52.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.836 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.2 mt -94.78 26.66 3.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 45.15 110.932 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 170.39 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.41 110.942 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 0.916 HD11 HG22 ' A' ' 403' ' ' ILE . 5.4 tp -84.83 -40.16 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 74.33 111.162 179.866 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.405 ' N ' HG23 ' B' ' 365' ' ' ILE . 3.6 p30 -90.14 -33.8 16.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 64.14 110.869 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -106.24 36.53 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 65.1 110.897 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 406' ' ' PHE . 15.4 tp -56.36 107.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.895 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -134.35 77.82 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.888 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.663 ' HB ' HD11 ' A' ' 412' ' ' ILE . 13.8 m -51.52 -29.21 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 64.02 111.117 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -51.91 -38.64 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.891 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.06 -35.42 59.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 64.21 110.881 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' B' ' 359' ' ' ILE . 5.5 t -53.65 -59.37 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 61.02 110.88 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.415 HD12 ' O ' ' B' ' 370' ' ' VAL . 3.1 mt -53.42 -44.45 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 64.33 111.137 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.67 -37.19 49.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -77.01 -54.0 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 73.15 111.13 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 377' ' ' LEU . . . . . 0.526 HD22 HD12 ' A' ' 419' ' ' LEU . 89.8 mt -52.15 -35.54 48.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 72.3 110.922 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -42.46 99.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 54.03 110.883 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.61 -50.18 70.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 62.51 110.906 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.685 HD12 HD13 ' A' ' 419' ' ' LEU . 3.2 tm? -56.75 -35.26 68.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 72.31 110.952 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 381' ' ' ALA . . . . . 0.469 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -69.21 -40.78 77.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 71.22 111.106 179.812 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.0 t -66.9 -35.24 79.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 63.33 110.808 -179.754 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 383' ' ' LEU . . . . . 0.401 HD21 ' HE ' ' B' ' 351' ' ' ARG . 90.0 mt -67.06 148.56 51.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 71.02 110.944 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -107.66 55.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 65.43 110.881 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 4.9 p -66.89 140.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 70.11 111.126 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.2 t -102.22 171.83 7.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 45.24 111.118 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.1 ttt -56.84 -35.57 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.862 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -53.53 -56.53 16.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.934 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -74.0 -35.94 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.905 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.22 88.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 62.03 111.111 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 391' ' ' GLN . . . . . 0.537 ' O ' HG23 ' B' ' 394' ' ' THR . 3.1 mt-30 -51.46 -41.86 61.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 71.43 110.862 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -66.75 -35.34 79.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 54.25 110.864 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -95.36 35.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 74.34 110.833 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.627 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.7 OUTLIER -52.24 -35.17 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 54.13 111.118 -179.917 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -45.64 93.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.869 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -55.63 -38.53 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.849 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' B' ' 400' ' ' LEU . 4.1 mt -70.03 -39.94 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 71.44 111.111 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 89.0 m -57.22 -45.09 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 55.43 111.123 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 31.9 m -60.6 -41.89 95.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 71.54 111.142 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' B' ' 397' ' ' ILE . 44.5 mt -51.52 -38.65 55.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 75.11 110.934 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.15 -28.89 57.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 60.31 110.91 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -74.54 -35.47 63.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.903 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.928 HG22 HD11 ' A' ' 365' ' ' ILE . 33.9 pt -74.08 -1.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 52.0 111.181 179.837 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -34.56 39.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 71.35 110.872 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -14.95 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 65.42 110.844 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.525 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -43.41 121.2 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 70.24 110.884 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -177.4 142.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 62.2 110.907 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.79 135.61 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 71.22 111.057 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -72.57 173.57 8.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 64.22 110.844 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -73.1 -33.02 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.911 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -53.0 -42.46 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.1 111.144 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.633 HD11 ' HB ' ' A' ' 370' ' ' VAL . 21.9 mt -74.04 -50.09 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 71.34 111.136 179.907 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 31.2 mtm -55.2 -33.72 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.911 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.93 -53.05 12.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.893 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -59.42 -39.84 84.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 74.32 110.893 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.7 p -54.95 -48.71 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 61.13 110.855 -179.851 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 57.9 m -56.11 -45.22 79.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 52.43 111.175 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 30.5 ttp -53.67 -44.71 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.822 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.535 HD12 HD22 ' A' ' 377' ' ' LEU . 59.6 mt -73.98 -41.58 61.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 43.52 110.934 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -58.11 -51.68 68.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.967 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -62.79 -39.56 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 72.53 110.92 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -53.29 -51.26 62.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 71.45 110.896 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.536 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 22.3 m-85 -75.38 -35.42 61.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 54.34 110.882 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -58.07 -51.42 69.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 71.03 110.876 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -53.19 -33.75 54.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 62.42 110.869 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.8 mtm -76.83 -34.68 57.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.876 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.901 -179.989 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.859 0.361 . . . . 60.3 110.853 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.8 tpt -53.62 -36.87 62.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 71.15 110.847 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.67 -36.32 65.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 75.24 110.859 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -36.71 81.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 64.41 110.825 -179.744 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 351' ' ' ARG . . . . . 0.471 ' HD2' HD13 ' A' ' 383' ' ' LEU . 11.2 ptp180 -77.4 -33.3 55.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.866 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 352' ' ' LEU . 20.4 mt -74.71 -40.74 61.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.52 110.882 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -63.2 -35.38 80.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.33 110.93 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -77.28 -35.3 55.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.873 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 24.1 mt -61.39 -44.25 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.14 111.128 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -72.22 -45.23 61.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.83 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.76 99.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 63.02 111.094 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -54.99 -42.33 72.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.907 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.512 HG22 HD12 ' A' ' 363' ' ' LEU . 41.2 mt -66.98 -34.31 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.121 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -58.46 -51.88 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 71.35 110.891 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -71.73 -33.58 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 61.12 110.89 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.4 p -74.05 -7.55 52.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.51 110.881 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.512 HD12 HG22 ' A' ' 359' ' ' ILE . 36.4 mt -115.08 26.34 10.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 63.44 110.926 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 170.58 10.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.934 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 0.978 HD11 HG22 ' B' ' 403' ' ' ILE . 5.7 tp -84.33 -37.81 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 75.13 111.117 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -92.99 -31.86 14.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.882 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -108.85 36.36 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 65.54 110.899 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' B' ' 406' ' ' PHE . 19.9 tp -53.34 107.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 61.41 110.947 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.41 81.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.868 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.586 ' HB ' HD11 ' B' ' 412' ' ' ILE . 12.5 m -60.69 -27.2 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.16 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -51.85 -39.58 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.888 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -75.89 -35.28 59.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.882 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.416 ' SG ' HG23 ' A' ' 359' ' ' ILE . 38.2 t -54.98 -54.52 41.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 70.04 110.861 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 374' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 370' ' ' VAL . 3.3 mt -55.16 -51.34 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 55.44 111.156 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.56 -34.08 35.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.901 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.78 -53.92 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 74.24 111.108 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 377' ' ' LEU . . . . . 0.422 HD11 HG23 ' B' ' 412' ' ' ILE . 11.9 mt -52.09 -42.87 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.919 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.64 -49.08 76.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 44.25 110.886 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -46.53 79.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 34.12 110.88 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.597 HD21 ' HE3' ' A' ' 396' ' ' MET . 1.1 tm? -52.35 -54.43 31.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 52.31 110.953 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.44 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -56.2 -34.6 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 53.33 111.069 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 8.6 t -70.16 -36.36 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.33 110.847 -179.781 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.471 HD13 ' HD2' ' A' ' 351' ' ' ARG . 59.5 mt -72.27 149.19 44.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 63.21 110.921 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -104.74 71.15 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.925 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 385' ' ' VAL . . . . . 0.535 HG13 ' HB3' ' A' ' 389' ' ' GLN . 22.0 t -67.05 127.61 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 44.12 111.135 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 386' ' ' THR . . . . . 0.478 HG22 ' CD ' ' A' ' 389' ' ' GLN . 14.6 t -90.18 173.76 7.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.149 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -47.01 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.857 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.31 -41.1 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 70.25 110.874 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 389' ' ' GLN . . . . . 0.535 ' HB3' HG13 ' A' ' 385' ' ' VAL . 0.9 OUTLIER -73.45 -35.58 65.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 70.44 110.936 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -67.53 -47.98 68.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.136 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -36.16 44.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.883 -179.908 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -83.43 -34.82 25.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 71.12 110.856 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -95.17 35.63 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 70.14 110.808 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.688 ' HA ' HD12 ' A' ' 397' ' ' ILE . 1.4 p -63.27 -34.99 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 63.35 111.177 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.02 -44.84 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 65.31 110.896 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.597 ' HE3' HD21 ' A' ' 380' ' ' LEU . 45.2 ttp -55.36 -39.36 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.837 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.779 ' HA ' HD12 ' A' ' 400' ' ' LEU . 4.2 mt -70.04 -43.17 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 64.34 111.113 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 5.9 m -54.2 -34.21 60.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 71.25 111.18 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 94.7 m -74.54 -34.34 62.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 64.32 111.129 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 397' ' ' ILE . 30.2 mt -59.16 -35.85 74.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.928 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -76.11 -28.5 57.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.857 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -75.56 -35.6 60.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 71.01 110.876 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.011 HG22 HD11 ' B' ' 365' ' ' ILE . 35.2 pt -73.54 -1.72 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 75.44 111.11 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -33.73 43.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.862 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -20.03 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 75.44 110.907 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.475 ' CD2' HD13 ' B' ' 368' ' ' LEU . 0.3 OUTLIER -39.95 119.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 75.04 110.886 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -174.33 135.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.903 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 10.2 p -61.58 128.86 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 43.23 111.16 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 25.2 t -64.8 171.65 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.825 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -34.11 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.905 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 411' ' ' VAL . . . . . 0.415 HG13 HG13 ' A' ' 412' ' ' ILE . 5.1 p -53.31 -41.35 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.121 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.616 HD11 ' HB ' ' B' ' 370' ' ' VAL . 93.1 mt -73.62 -47.73 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.31 111.147 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 14.8 mtm -57.89 -33.95 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 65.12 110.898 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.67 -45.43 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.917 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -65.87 -35.45 80.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.869 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.5 p -58.06 -50.27 74.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.875 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 37.1 m -53.67 -44.94 70.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 73.02 111.163 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -50.55 -48.94 57.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 71.21 110.874 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' B' ' 381' ' ' ALA . 54.6 mt -74.38 -35.94 63.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 71.2 110.935 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -59.44 -57.02 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.948 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.17 -34.95 79.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.514 . . . . 73.14 110.889 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -57.44 -52.22 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.899 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.408 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 36.7 m-85 -65.76 -35.94 82.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 74.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -53.96 35.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 63.42 110.889 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -56.05 -33.11 64.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 44.24 110.854 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 7.1 mtm -75.91 -26.9 57.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.861 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.705 ' CE2' HD13 ' B' ' 397' ' ' ILE . 11.9 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 65.35 110.875 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.891 0.377 . . . . 65.44 110.876 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.5 tpt -53.07 -37.87 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 74.02 110.869 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 -35.09 67.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.911 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.92 -39.47 83.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 65.45 110.86 -179.761 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 351' ' ' ARG . . . . . 0.419 ' HD2' HD13 ' B' ' 383' ' ' LEU . 0.2 OUTLIER -74.8 -34.81 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 64.45 110.917 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.621 ' HA ' HD12 ' B' ' 355' ' ' ILE . 24.9 mt -71.48 -47.68 53.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.909 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -57.89 -30.17 65.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 64.41 110.896 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -76.79 -41.5 44.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 71.42 110.875 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.1 mt -59.2 -41.47 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 75.43 111.147 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -71.95 -50.73 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.843 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.46 88.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.04 111.119 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -55.06 -42.37 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.87 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.5 HG22 HD12 ' B' ' 363' ' ' LEU . 37.2 mt -66.43 -34.59 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 62.43 111.136 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -58.41 -51.79 68.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.3 110.909 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -71.69 -33.75 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 75.2 110.893 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 6.6 p -73.91 -7.72 53.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.886 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.5 HD12 HG22 ' B' ' 359' ' ' ILE . 37.3 mt -115.09 26.4 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 45.15 110.888 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 170.47 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.41 110.901 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.011 HD11 HG22 ' A' ' 403' ' ' ILE . 5.8 tp -84.41 -37.7 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.33 111.115 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -92.86 -31.7 14.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 64.14 110.865 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -109.3 36.57 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 65.1 110.906 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' A' ' 406' ' ' PHE . 19.8 tp -53.42 107.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 73.24 110.943 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.38 81.16 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.898 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.616 ' HB ' HD11 ' A' ' 412' ' ' ILE . 12.2 m -60.65 -27.29 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 64.02 111.112 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -51.83 -39.56 59.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.881 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -75.92 -35.55 59.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 64.21 110.898 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.425 ' SG ' HG23 ' B' ' 359' ' ' ILE . 34.7 t -54.42 -54.62 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 61.02 110.905 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 374' ' ' ILE . . . . . 0.421 HD12 ' O ' ' B' ' 370' ' ' VAL . 3.3 mt -55.26 -50.04 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 64.33 111.152 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.81 -35.36 43.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 75.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.468 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.45 -52.96 9.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 73.15 111.077 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 377' ' ' LEU . . . . . 0.433 HD11 HG23 ' A' ' 412' ' ' ILE . 11.9 mt -52.17 -41.37 62.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 72.3 110.975 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.61 -47.82 83.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 54.03 110.882 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -47.27 79.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 62.51 110.893 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' B' ' 380' ' ' LEU . 0.8 OUTLIER -52.4 -54.54 30.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.964 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 381' ' ' ALA . . . . . 0.426 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -55.89 -34.28 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 71.22 111.077 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 8.6 t -71.41 -36.32 71.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 63.33 110.829 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 383' ' ' LEU . . . . . 0.419 HD13 ' HD2' ' B' ' 351' ' ' ARG . 61.9 mt -72.94 148.65 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 71.02 110.905 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -104.13 71.1 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 65.43 110.921 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 385' ' ' VAL . . . . . 0.516 HG13 ' HB3' ' B' ' 389' ' ' GLN . 21.9 t -66.96 127.24 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 70.11 111.103 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 386' ' ' THR . . . . . 0.443 HG22 ' CD ' ' B' ' 389' ' ' GLN . 14.6 t -89.88 173.69 8.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 45.24 111.117 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -46.5 81.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.865 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -56.2 -41.72 76.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.946 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 389' ' ' GLN . . . . . 0.516 ' HB3' HG13 ' B' ' 385' ' ' VAL . 0.9 OUTLIER -73.19 -35.98 66.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.904 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.09 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 62.03 111.122 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -35.9 48.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.868 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -82.87 -35.29 26.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 54.25 110.904 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -95.17 35.58 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.89 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.684 ' HA ' HD12 ' B' ' 397' ' ' ILE . 1.4 p -62.79 -35.24 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 54.13 111.104 -179.884 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.77 -44.58 81.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.888 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 396' ' ' MET . . . . . 0.427 ' HB3' ' HE2' ' B' ' 396' ' ' MET . 43.6 ttp -55.34 -40.63 71.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.918 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.776 ' HA ' HD12 ' B' ' 400' ' ' LEU . 4.0 mt -68.58 -42.7 83.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 71.44 111.121 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 6.0 m -54.13 -35.6 62.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 55.43 111.126 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 97.0 m -73.68 -35.68 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 71.54 111.14 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' B' ' 397' ' ' ILE . 26.6 mt -57.8 -35.85 71.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.927 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -76.3 -28.62 57.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 60.31 110.911 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -75.44 -35.49 60.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.896 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 0.978 HG22 HD11 ' A' ' 365' ' ' ILE . 36.2 pt -73.36 -1.77 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 52.0 111.159 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -33.98 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 71.35 110.87 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.12 -19.95 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 65.42 110.902 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.493 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.05 118.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.845 -179.937 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -174.17 135.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 62.2 110.876 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.6 129.1 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 71.22 111.122 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 25.2 t -65.19 171.28 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 64.22 110.876 -179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.93 -34.24 66.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.917 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 411' ' ' VAL . . . . . 0.407 HG13 HG13 ' B' ' 412' ' ' ILE . 5.1 p -53.19 -41.35 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.1 111.105 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.586 HD11 ' HB ' ' A' ' 370' ' ' VAL . 93.1 mt -73.56 -48.28 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 71.34 111.134 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 14.1 mtm -57.19 -34.28 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 75.13 110.842 179.886 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.91 -46.76 42.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 74.42 110.889 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -64.61 -37.98 89.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.926 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.9 p -55.89 -48.63 75.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 61.13 110.875 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 417' ' ' THR . . . . . 0.487 HG22 ' ND2' ' B' ' 421' ' ' ASN . 92.4 m -54.75 -47.09 74.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 52.43 111.121 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -48.93 -47.15 43.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.866 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 381' ' ' ALA . 53.5 mt -75.86 -34.82 60.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 43.52 110.904 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -56.36 -64.14 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.94 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 421' ' ' ASN . . . . . 0.487 ' ND2' HG22 ' B' ' 417' ' ' THR . 9.5 p30 -62.41 -33.27 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 72.53 110.895 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -55.05 -46.49 75.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 71.45 110.927 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.436 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 41.1 m-85 -75.35 -35.63 61.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 54.34 110.848 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -53.19 39.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 71.03 110.91 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -55.66 -33.39 64.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 62.42 110.893 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 7.7 mtm -75.88 -26.78 57.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.862 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 427' ' ' PHE . . . . . 0.719 ' CE2' HD13 ' A' ' 397' ' ' ILE . 12.3 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.875 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.873 0.368 . . . . 60.3 110.861 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 3.6 tpt -59.87 -40.23 87.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 71.15 110.831 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -73.83 -35.81 64.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 75.24 110.849 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 43.0 t -70.91 -38.72 72.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.897 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -74.75 -34.64 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.889 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.741 ' HA ' HD12 ' A' ' 355' ' ' ILE . 12.1 mt -71.55 -47.24 56.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 73.52 110.909 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -57.52 -27.93 63.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.914 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -75.89 -36.35 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.862 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 352' ' ' LEU . 29.2 mt -63.11 -37.83 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 73.14 111.112 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -71.96 -48.54 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.44 110.827 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.66 93.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 63.02 111.103 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -55.0 -47.01 75.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.911 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 40.5 mt -69.74 -33.72 57.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 73.32 111.128 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -52.0 63.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.35 110.866 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -73.75 -27.93 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 61.12 110.906 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.2 p -79.02 -2.85 42.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.881 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 39.9 mt -120.52 26.33 9.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 63.44 110.881 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -70.03 169.9 12.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.893 179.829 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 1.001 HD11 HG22 ' B' ' 403' ' ' ILE . 6.2 tp -83.93 -38.98 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 75.13 111.098 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.53 -29.77 15.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.25 110.866 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -111.03 37.11 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 65.54 110.901 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.449 HD13 ' CD2' ' B' ' 406' ' ' PHE . 20.0 tp -52.34 107.41 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 61.41 110.907 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -129.55 79.69 1.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 74.15 110.906 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.708 ' HB ' HD11 ' B' ' 412' ' ' ILE . 15.5 m -62.42 -26.51 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 73.32 111.165 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -51.58 -40.38 59.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 71.21 110.849 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -33.56 59.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.877 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 31.4 t -53.29 -61.17 2.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.905 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -53.51 -47.09 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 55.44 111.166 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.91 -36.47 49.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.93 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.558 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.96 -50.33 13.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.118 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 6.1 mt -51.96 -36.0 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 72.3 110.906 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.62 -46.62 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 44.25 110.857 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.61 -44.5 93.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 34.12 110.893 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.818 HD12 HD12 ' B' ' 419' ' ' LEU . 0.6 OUTLIER -52.47 -51.78 57.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 52.31 110.925 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.09 -33.62 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 53.33 111.07 179.848 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.85 -36.47 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 74.33 110.851 -179.77 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.403 HD12 ' CD1' ' A' ' 355' ' ' ILE . 53.7 mt -71.86 113.67 9.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 63.21 110.951 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -74.45 74.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.866 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.09 120.05 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 44.12 111.12 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 386' ' ' THR . . . . . 0.529 HG23 ' H ' ' A' ' 389' ' ' GLN . 13.0 t -80.43 163.59 23.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 72.12 111.142 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -48.26 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.878 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -51.68 -52.66 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 70.25 110.864 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 389' ' ' GLN . . . . . 0.529 ' H ' HG23 ' A' ' 386' ' ' THR . 0.0 OUTLIER -64.22 -37.85 88.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.93 -179.932 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.47 -51.31 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.095 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 391' ' ' GLN . . . . . 0.502 ' O ' HG23 ' A' ' 394' ' ' THR . 5.0 mt-30 -52.2 -36.08 50.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.914 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.36 -34.82 48.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.877 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.402 ' CE1' HD12 ' A' ' 352' ' ' LEU . 76.5 m80 -95.23 35.62 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 70.14 110.866 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.8 ' HA ' HD12 ' A' ' 397' ' ' ILE . 4.3 p -61.69 -35.44 78.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 63.35 111.168 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.84 -46.72 87.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 65.31 110.912 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 396' ' ' MET . . . . . 0.498 ' HE2' ' HB3' ' A' ' 396' ' ' MET . 19.2 ttp -55.27 -40.69 71.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.888 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 394' ' ' THR . 8.5 mt -64.12 -46.6 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 64.34 111.132 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 1.7 m -55.28 -40.68 71.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 71.25 111.151 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 85.2 m -62.94 -38.61 91.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 64.32 111.131 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 397' ' ' ILE . 17.8 mt -59.01 -35.73 73.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.905 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -76.16 -29.02 57.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 75.05 110.894 179.793 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -75.04 -35.21 61.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 71.01 110.943 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.041 HG22 HD11 ' B' ' 365' ' ' ILE . 36.5 pt -74.11 -1.59 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.44 111.121 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -32.77 36.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 64.01 110.886 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.03 -20.39 7.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.936 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.469 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -41.58 119.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.903 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.87 135.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.904 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.571 HG22 ' HB ' ' A' ' 412' ' ' ILE . 9.8 p -55.78 138.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 43.23 111.136 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.4 t -68.82 175.37 3.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.865 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -77.2 -35.84 55.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.926 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.99 -38.63 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.11 111.148 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.726 HD11 ' HB ' ' B' ' 370' ' ' VAL . 95.4 mt -65.42 -54.23 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.31 111.105 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 24.5 ptp -60.81 -32.85 72.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 65.12 110.897 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.44 -41.75 65.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.887 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -71.07 -39.1 72.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.884 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 416' ' ' SER . . . . . 0.42 ' HB2' HD11 ' B' ' 403' ' ' ILE . 59.1 p -54.91 -48.17 73.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.89 -179.866 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 95.0 m -52.65 -46.72 67.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 73.02 111.135 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -52.26 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 71.21 110.866 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.796 HD12 HD12 ' B' ' 380' ' ' LEU . 4.3 mm? -67.37 -39.49 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 71.2 110.893 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -54.69 -51.86 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.889 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -69.8 -36.47 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.911 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -53.62 -47.39 70.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.885 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -70.89 -44.04 67.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 74.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -49.61 63.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 63.42 110.875 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.4 -34.05 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 44.24 110.847 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 15.9 mtm -85.87 -26.28 25.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.873 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.461 ' CZ ' HD13 ' B' ' 397' ' ' ILE . 1.7 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 65.35 110.844 -179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.886 0.374 . . . . 65.44 110.827 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 3.6 tpt -58.38 -40.31 81.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 74.02 110.86 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -73.21 -36.05 66.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.876 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 43.2 t -70.32 -39.52 74.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 65.45 110.867 -179.797 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.54 -35.1 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 64.45 110.882 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.812 ' HA ' HD12 ' B' ' 355' ' ' ILE . 14.2 mt -71.42 -47.92 52.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 63.21 110.962 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -58.22 -30.26 66.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 64.41 110.94 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -72.16 -36.61 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 71.42 110.85 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' B' ' 352' ' ' LEU . 19.0 mt -62.81 -40.35 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 75.43 111.113 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -67.83 -49.27 63.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.854 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.11 93.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 75.04 111.082 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -55.4 -46.08 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 74.45 110.892 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.47 HG22 HD12 ' B' ' 363' ' ' LEU . 40.7 mt -70.65 -33.79 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 62.43 111.124 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -55.59 -51.69 66.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.3 110.913 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -73.18 -26.59 61.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.926 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 3.2 p -82.1 -0.99 47.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 71.21 110.879 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.47 HD12 HG22 ' B' ' 359' ' ' ILE . 33.5 mt -121.34 26.35 8.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 45.15 110.911 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 170.74 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.891 179.853 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.041 HD11 HG22 ' A' ' 403' ' ' ILE . 6.1 tp -84.25 -39.3 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.139 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.402 ' N ' HG23 ' B' ' 365' ' ' ILE . 4.9 p-10 -92.85 -30.65 15.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 64.14 110.861 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -110.23 37.21 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 65.1 110.908 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 22.8 tp -52.36 107.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.914 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.41 80.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.899 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.726 ' HB ' HD11 ' A' ' 412' ' ' ILE . 15.4 m -63.05 -26.22 40.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 64.02 111.148 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -51.63 -40.44 59.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 73.44 110.906 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -33.46 60.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.853 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.34 -61.26 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.881 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -53.54 -46.19 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 64.33 111.121 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.93 -37.23 51.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.709 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.94 -49.19 16.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 73.15 111.08 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 6.1 mt -52.1 -35.45 47.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 72.3 110.891 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -66.51 -45.09 80.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 54.03 110.913 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -60.46 -45.53 93.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 62.51 110.879 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 419' ' ' LEU . 0.6 OUTLIER -52.4 -52.34 54.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 72.31 110.901 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.39 -33.66 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 71.22 111.104 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -36.33 62.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 63.33 110.834 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.2 mt -72.39 113.9 9.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 71.02 110.939 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -74.29 74.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 65.43 110.922 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 385' ' ' VAL . . . . . 0.412 HG22 HD11 ' B' ' 352' ' ' LEU . 21.4 t -66.9 119.96 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 70.11 111.104 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 386' ' ' THR . . . . . 0.531 HG23 ' H ' ' B' ' 389' ' ' GLN . 12.8 t -79.27 163.32 25.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 45.24 111.139 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 14.3 tpt -53.11 -47.16 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.883 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -52.01 -52.1 52.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.911 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 389' ' ' GLN . . . . . 0.531 ' H ' HG23 ' B' ' 386' ' ' THR . 0.4 OUTLIER -65.04 -35.98 82.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.939 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.64 -51.37 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 62.03 111.078 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 391' ' ' GLN . . . . . 0.485 ' O ' HG23 ' B' ' 394' ' ' THR . 4.9 mt-30 -52.95 -36.12 59.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.943 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -35.44 51.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 54.25 110.864 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -95.25 35.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.873 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.791 ' HA ' HD12 ' B' ' 397' ' ' ILE . 4.2 p -61.6 -35.4 77.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 54.13 111.138 -179.898 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.68 -46.33 87.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 74.34 110.925 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 396' ' ' MET . . . . . 0.508 ' HB3' ' HE2' ' B' ' 396' ' ' MET . 18.5 ttp -55.34 -41.61 72.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.869 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' B' ' 394' ' ' THR . 7.5 mt -63.64 -46.09 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.44 111.089 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 1.7 m -55.5 -40.7 72.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 55.43 111.138 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.0 m -63.14 -39.3 94.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 71.54 111.167 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' B' ' 397' ' ' ILE . 18.6 mt -58.14 -35.81 72.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.909 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -76.18 -29.02 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 60.31 110.88 179.867 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -75.05 -35.17 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.883 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 1.001 HG22 HD11 ' A' ' 365' ' ' ILE . 36.5 pt -74.11 -1.84 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 52.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -32.89 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 71.35 110.814 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.73 -20.35 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 65.42 110.874 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.488 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.5 OUTLIER -41.79 118.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 70.24 110.941 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.5 134.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 62.2 110.874 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' B' ' 412' ' ' ILE . 9.7 p -54.66 139.06 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 71.22 111.139 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.1 t -69.69 176.06 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 64.22 110.852 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -77.67 -35.89 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.924 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.18 -38.53 81.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 73.1 111.145 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.708 HD11 ' HB ' ' A' ' 370' ' ' VAL . 95.2 mt -65.32 -54.09 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 71.34 111.142 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.1 ptp -60.84 -32.91 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.849 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.15 -42.42 65.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.928 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -70.4 -39.01 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 74.32 110.867 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 416' ' ' SER . . . . . 0.433 ' HB2' HD11 ' A' ' 403' ' ' ILE . 56.2 p -55.04 -48.21 73.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 61.13 110.86 -179.874 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 95.8 m -52.83 -46.78 67.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 52.43 111.116 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -52.25 49.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.22 110.842 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.818 HD12 HD12 ' A' ' 380' ' ' LEU . 4.2 mm? -67.12 -40.24 86.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 43.52 110.932 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -54.0 -52.55 60.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 75.05 110.913 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -69.06 -36.54 77.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 72.53 110.896 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -53.64 -46.99 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.45 110.88 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.22 -43.99 66.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 54.34 110.894 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -49.79 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 71.03 110.865 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.46 -34.13 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 62.42 110.916 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 17.2 mtm -85.8 -25.44 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.908 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 427' ' ' PHE . . . . . 0.482 ' CZ ' HD13 ' A' ' 397' ' ' ILE . 1.8 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.915 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.851 0.358 . . . . 60.3 110.846 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.8 ttt -53.0 -35.26 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 71.15 110.914 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.55 -48.1 35.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.24 110.873 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.02 -40.39 73.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.41 110.865 -179.753 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 351' ' ' ARG . . . . . 0.573 ' HE ' HD21 ' A' ' 383' ' ' LEU . 6.1 ptm85 -75.5 -34.28 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 74.54 110.883 -179.933 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.516 HD23 ' CG ' ' A' ' 393' ' ' HIS . 0.9 OUTLIER -61.01 -47.96 84.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.52 110.886 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -25.65 43.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.906 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -76.98 -34.91 57.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 75.43 110.88 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.464 HG23 ' HB1' ' A' ' 376' ' ' ALA . 73.3 mt -64.99 -42.22 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.14 111.13 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -71.86 -39.0 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 71.44 110.889 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.9 -45.89 66.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 63.02 111.086 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -54.98 -53.72 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.895 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 359' ' ' ILE . . . . . 0.554 HG22 HD12 ' A' ' 363' ' ' LEU . 41.8 mt -54.24 -34.25 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 73.32 111.134 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.32 -45.46 94.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.941 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -75.78 -30.55 59.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 61.12 110.882 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.6 p -80.86 -1.21 42.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.911 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 363' ' ' LEU . . . . . 0.554 HD12 HG22 ' A' ' 359' ' ' ILE . 35.2 mt -121.6 26.19 8.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 63.44 110.946 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -70.99 171.16 11.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.931 179.791 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 1.075 HD11 HG22 ' B' ' 403' ' ' ILE . 6.0 tp -84.34 -40.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 75.13 111.187 179.821 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 366' ' ' ASP . . . . . 0.42 ' N ' HG23 ' A' ' 365' ' ' ILE . 25.0 t0 -93.65 -30.65 14.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.865 179.832 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -109.8 36.26 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 65.54 110.913 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.518 HD13 ' CD2' ' B' ' 406' ' ' PHE . 23.1 tp -53.34 107.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 61.41 110.948 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -124.62 67.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.906 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.718 ' HB ' HD11 ' B' ' 412' ' ' ILE . 9.6 m -51.06 -30.97 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 73.32 111.139 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -52.27 -41.31 62.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.894 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -34.33 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.872 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 373' ' ' CYS . . . . . 0.437 ' SG ' HG23 ' A' ' 359' ' ' ILE . 34.9 t -53.33 -46.07 69.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 70.04 110.866 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.7 mt -65.64 -48.44 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 55.44 111.129 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.79 -34.74 41.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.902 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.464 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.96 -53.52 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.084 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 44.7 mt -52.22 -42.76 63.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 72.3 110.904 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -34.91 76.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 44.25 110.837 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.16 -45.31 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 34.12 110.864 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.636 HD11 ' CZ ' ' B' ' 423' ' ' PHE . 3.4 tm? -60.37 -34.88 74.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 52.31 110.903 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.765 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -74.72 -34.41 62.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 53.33 111.086 179.81 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 5.8 m -77.34 -33.97 55.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.882 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.573 HD21 ' HE ' ' A' ' 351' ' ' ARG . 23.2 mt -55.1 -35.07 64.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 63.21 110.878 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 60.15 49.21 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.02 110.864 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.64 140.62 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 44.12 111.161 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -85.94 174.35 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 72.12 111.149 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 10.6 tpt -62.16 -36.9 83.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 74.23 110.872 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -54.29 -51.56 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 70.25 110.89 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -74.27 -36.04 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 70.44 110.937 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.06 96.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.34 111.063 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -35.93 43.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 75.25 110.917 -179.901 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -73.03 -35.05 66.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.937 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.516 ' CG ' HD23 ' A' ' 352' ' ' LEU . 67.8 m80 -101.26 35.73 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 70.14 110.847 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.504 HG22 ' CE2' ' B' ' 427' ' ' PHE . 0.8 OUTLIER -54.77 -34.85 63.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 63.35 111.148 -179.922 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.04 -38.22 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 65.31 110.894 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 36.2 ttp -55.3 -45.88 76.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 74.31 110.855 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.769 ' HA ' HD12 ' A' ' 400' ' ' LEU . 2.8 mp -62.03 -36.49 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 64.34 111.082 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 25.8 m -54.22 -36.73 63.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 71.25 111.09 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -73.61 -35.19 65.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 64.32 111.149 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 397' ' ' ILE . 30.7 mt -59.09 -36.28 74.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.929 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -29.26 57.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 75.05 110.847 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -75.4 -35.51 61.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 71.01 110.941 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.039 HG22 HD11 ' B' ' 365' ' ' ILE . 39.9 pt -73.38 -1.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.44 111.151 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -33.89 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 64.01 110.841 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 405' ' ' ARG . . . . . 0.52 HH21 HD23 ' B' ' 368' ' ' LEU . 0.0 OUTLIER -120.43 -20.08 7.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.91 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.563 ' HE1' HG13 ' B' ' 408' ' ' VAL . 0.7 OUTLIER -42.89 113.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.891 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -175.67 133.65 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.897 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.575 HG13 ' HE1' ' B' ' 406' ' ' PHE . 2.3 m -52.18 144.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 43.23 111.086 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -85.54 156.46 20.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.834 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -51.99 -35.75 47.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.925 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 411' ' ' VAL . . . . . 0.421 HG13 HG13 ' A' ' 412' ' ' ILE . 6.4 p -59.04 -39.8 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 73.11 111.117 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.707 HD11 ' HB ' ' B' ' 370' ' ' VAL . 78.6 mt -72.24 -49.55 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 74.31 111.112 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 18.8 mtm -61.55 -32.31 72.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 65.12 110.932 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.35 -53.19 13.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.858 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -59.54 -38.61 81.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.835 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 416' ' ' SER . . . . . 0.424 ' HB2' HD11 ' B' ' 403' ' ' ILE . 58.8 p -55.04 -49.55 71.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 71.33 110.895 -179.911 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 87.4 m -55.52 -47.7 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 73.02 111.108 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 6.6 ttp -50.95 -44.97 60.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 71.21 110.907 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' B' ' 381' ' ' ALA . 90.2 mt -74.34 -40.45 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 71.2 110.912 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -57.94 -60.76 3.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.905 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.28 -35.1 71.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 73.14 110.885 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -56.94 -49.64 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.868 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.631 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 55.5 m-85 -70.14 -37.15 75.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -60.77 -47.13 87.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 63.42 110.875 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -51.86 -34.95 43.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 44.24 110.866 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 67.0 mtm -85.86 -34.88 20.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 74.21 110.911 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.46 ' CE2' HD13 ' B' ' 397' ' ' ILE . 7.5 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.35 110.894 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.896 0.379 . . . . 65.44 110.839 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.9 ttt -53.18 -36.46 60.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.02 110.87 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.88 -45.84 56.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 75.42 110.872 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -40.41 80.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 65.45 110.862 -179.77 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 351' ' ' ARG . . . . . 0.669 ' CZ ' HD21 ' B' ' 383' ' ' LEU . 12.7 ptm180 -75.16 -34.24 61.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 64.45 110.906 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.507 HD23 ' CG ' ' B' ' 393' ' ' HIS . 0.9 OUTLIER -60.54 -47.74 84.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 63.21 110.919 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -25.25 42.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 64.41 110.854 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -76.79 -35.74 57.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 71.42 110.906 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.532 HG23 ' HB1' ' B' ' 376' ' ' ALA . 70.8 mt -64.8 -42.66 95.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 75.43 111.174 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -70.76 -39.43 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.855 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.93 67.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.04 111.095 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.28 -53.16 59.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.855 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 359' ' ' ILE . . . . . 0.575 HG22 HD12 ' B' ' 363' ' ' LEU . 38.1 mt -54.18 -35.34 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 62.43 111.137 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -62.99 -43.38 98.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 74.3 110.897 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -76.05 -29.24 57.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.891 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 6.7 p -84.33 -0.51 52.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.894 -179.862 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 363' ' ' LEU . . . . . 0.575 HD12 HG22 ' B' ' 359' ' ' ILE . 33.4 mt -120.85 26.58 9.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 45.15 110.881 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 171.94 10.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.909 179.811 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.039 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.71 -40.71 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.155 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.426 ' N ' HG23 ' B' ' 365' ' ' ILE . 25.2 t0 -93.16 -31.52 14.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 64.14 110.872 179.867 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -108.7 36.22 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 65.1 110.916 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.52 HD23 HH21 ' A' ' 405' ' ' ARG . 22.7 tp -53.62 107.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.879 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -124.99 67.86 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.867 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.707 ' HB ' HD11 ' A' ' 412' ' ' ILE . 9.9 m -51.23 -30.44 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 64.02 111.111 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -52.19 -41.38 62.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 73.44 110.903 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -34.14 60.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 64.21 110.86 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 373' ' ' CYS . . . . . 0.437 ' SG ' HG23 ' B' ' 359' ' ' ILE . 33.0 t -53.16 -47.1 69.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 61.02 110.861 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.7 mt -64.99 -47.59 87.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 64.33 111.128 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.9 -35.49 45.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.532 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.62 -53.84 7.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 73.15 111.09 179.922 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 44.6 mt -52.21 -42.66 63.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 72.3 110.891 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -35.02 76.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 54.03 110.852 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.55 -45.33 72.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 62.51 110.852 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.631 HD11 ' CZ ' ' A' ' 423' ' ' PHE . 3.4 tm? -59.29 -35.67 74.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 72.31 110.898 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 381' ' ' ALA . . . . . 0.703 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -74.07 -34.79 64.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 71.22 111.157 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 5.8 m -76.48 -34.06 58.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.33 110.849 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 383' ' ' LEU . . . . . 0.669 HD21 ' CZ ' ' B' ' 351' ' ' ARG . 27.4 mt -55.31 -34.85 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 71.02 110.959 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 59.8 49.38 8.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 65.43 110.946 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.78 141.22 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 70.11 111.16 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -86.83 174.34 8.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 45.24 111.162 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 11.3 tpt -61.86 -38.24 87.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 75.31 110.86 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -52.17 -52.01 54.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 74.44 110.93 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -36.04 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.879 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.69 92.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 62.03 111.123 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -35.9 45.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.905 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -72.61 -35.58 67.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 54.25 110.909 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 393' ' ' HIS . . . . . 0.507 ' CG ' HD23 ' B' ' 352' ' ' LEU . 68.7 m80 -101.12 35.66 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.898 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.74 -35.21 63.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 54.13 111.117 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.38 -38.15 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.871 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 35.5 ttp -55.4 -46.6 76.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.889 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.766 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.7 mp -61.11 -35.48 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.44 111.146 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.0 m -54.96 -37.54 66.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 55.43 111.142 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.4 m -72.59 -35.61 67.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 71.54 111.188 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.766 HD12 ' HA ' ' B' ' 397' ' ' ILE . 29.6 mt -58.5 -36.61 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 75.11 110.887 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -28.91 57.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 60.31 110.946 179.812 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -75.59 -35.36 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 72.14 110.907 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 1.075 HG22 HD11 ' A' ' 365' ' ' ILE . 39.9 pt -73.46 -1.7 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 52.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.15 -34.01 43.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.35 110.869 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 405' ' ' ARG . . . . . 0.47 HH21 HD23 ' A' ' 368' ' ' LEU . 0.0 OUTLIER -120.22 -20.25 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 65.42 110.897 -179.942 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.575 ' HE1' HG13 ' A' ' 408' ' ' VAL . 0.8 OUTLIER -42.68 113.45 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 70.24 110.912 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -175.65 133.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 62.2 110.919 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.563 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.3 m -51.95 145.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.22 111.161 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 409' ' ' SER . . . . . 0.426 ' H ' HD12 ' B' ' 412' ' ' ILE . 3.1 m -86.28 156.36 20.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 64.22 110.863 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -51.76 -35.79 44.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.91 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 411' ' ' VAL . . . . . 0.404 HG13 HG13 ' B' ' 412' ' ' ILE . 6.3 p -59.12 -40.18 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.1 111.102 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.718 HD11 ' HB ' ' A' ' 370' ' ' VAL . 77.7 mt -71.6 -50.41 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 71.34 111.147 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.7 mtm -60.89 -32.84 72.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 75.13 110.879 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.63 -53.44 13.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.847 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -59.41 -39.51 83.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.872 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 416' ' ' SER . . . . . 0.451 ' HB2' HD11 ' A' ' 403' ' ' ILE . 60.0 p -55.06 -48.33 73.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 61.13 110.855 -179.901 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 90.4 m -55.38 -51.65 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 52.43 111.168 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 6.6 ttp -48.88 -43.71 39.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.916 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.765 HD21 ' HB2' ' A' ' 381' ' ' ALA . 86.4 mt -75.15 -34.91 61.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 43.52 110.913 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -60.48 -63.06 1.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.905 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -59.57 -31.4 69.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 72.53 110.902 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -56.26 -47.98 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 71.45 110.889 179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 423' ' ' PHE . . . . . 0.636 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 57.0 m-85 -75.75 -35.89 60.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 54.34 110.896 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -60.57 -47.7 85.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.9 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -51.49 -35.16 38.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 62.42 110.87 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 67.6 mtm -85.81 -33.73 21.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.891 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 427' ' ' PHE . . . . . 0.504 ' CE2' HG22 ' A' ' 394' ' ' THR . 3.1 m-30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.84 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.867 0.365 . . . . 60.3 110.896 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -36.16 60.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 71.15 110.821 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 75.24 110.865 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -37.47 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 64.41 110.909 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -74.99 -33.89 61.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 74.54 110.84 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 352' ' ' LEU . . . . . 0.564 ' HA ' HD12 ' A' ' 355' ' ' ILE . 2.3 mp -71.19 -47.78 55.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.903 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -56.07 -30.37 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.894 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.44 -39.4 46.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.859 -179.895 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 355' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 352' ' ' LEU . 22.8 mt -63.0 -37.07 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.14 111.114 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -72.07 -45.85 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 71.44 110.914 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.15 86.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 63.02 111.123 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.0 -41.68 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.869 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.9 -35.45 59.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.121 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -54.77 -48.74 72.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.902 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.62 -28.98 59.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 61.12 110.922 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.2 p -78.19 -3.08 40.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.51 110.878 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 55.6 mt -121.74 26.21 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 63.44 110.932 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 171.36 8.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.907 179.859 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 365' ' ' ILE . . . . . 1.035 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.74 -41.94 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.163 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 366' ' ' ASP . . . . . 0.428 ' N ' HG23 ' A' ' 365' ' ' ILE . 31.3 t70 -91.43 -32.72 15.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.849 179.868 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -109.67 36.26 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 65.54 110.883 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 368' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' B' ' 406' ' ' PHE . 16.4 tp -53.56 107.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 61.41 110.918 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -123.98 70.05 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.877 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 370' ' ' VAL . . . . . 0.692 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.3 m -54.34 -29.52 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.32 111.132 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -52.08 -40.29 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 71.21 110.879 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.81 -34.48 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.865 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 38.0 t -53.36 -45.29 69.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 70.04 110.886 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -66.84 -37.67 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 55.44 111.147 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.39 -36.14 81.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.895 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 376' ' ' ALA . . . . . 0.455 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -77.04 -53.8 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.147 179.897 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 15.9 mt -52.07 -43.72 63.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.905 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -62.97 -33.64 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 44.25 110.883 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.43 -49.07 65.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 34.12 110.89 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 380' ' ' LEU . . . . . 0.663 HD12 HD22 ' B' ' 419' ' ' LEU . 3.3 tm? -51.65 -44.31 62.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 52.31 110.925 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.515 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -60.91 -26.44 67.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 53.33 111.089 179.787 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.59 27.23 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.849 -179.729 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.409 HD11 ' CD1' ' A' ' 355' ' ' ILE . 17.4 mt -114.87 -32.42 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 63.21 110.901 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 49.56 48.54 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 74.02 110.925 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.16 148.17 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 44.12 111.133 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.0 t -80.23 175.21 10.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 72.12 111.112 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 387' ' ' MET . . . . . 0.492 ' HE2' ' HA ' ' B' ' 427' ' ' PHE . 10.6 tpt -69.6 -40.04 76.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.819 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -51.84 -49.2 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 70.25 110.89 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.04 -35.7 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 70.44 110.89 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.88 98.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 73.34 111.081 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -36.03 42.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 75.25 110.924 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -72.78 -34.31 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 71.12 110.944 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.468 ' CG ' HD23 ' A' ' 352' ' ' LEU . 75.7 m80 -95.4 35.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 70.14 110.899 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 394' ' ' THR . . . . . 0.559 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.2 OUTLIER -54.31 -34.66 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 63.35 111.148 -179.884 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.7 -43.65 97.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 65.31 110.877 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 34.4 ttp -55.25 -43.69 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.895 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 397' ' ' ILE . . . . . 0.735 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.4 mt -64.7 -45.07 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 64.34 111.094 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 398' ' ' THR . . . . . 0.448 HG22 ' HE2' ' A' ' 402' ' ' LYS . 0.6 OUTLIER -54.16 -34.72 61.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 71.25 111.158 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 86.4 m -71.09 -34.94 71.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 64.32 111.111 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 397' ' ' ILE . 31.0 mt -61.61 -36.31 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.892 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -76.33 -28.84 57.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 75.05 110.917 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 402' ' ' LYS . . . . . 0.448 ' HE2' HG22 ' A' ' 398' ' ' THR . 16.5 mttm -75.08 -35.77 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 71.01 110.884 179.875 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 403' ' ' ILE . . . . . 1.049 HG22 HD11 ' B' ' 365' ' ' ILE . 36.4 pt -73.16 -2.02 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 75.44 111.126 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -34.13 49.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 64.01 110.884 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 -19.98 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 75.44 110.859 -179.907 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 406' ' ' PHE . . . . . 0.572 ' HE1' HG13 ' B' ' 408' ' ' VAL . 1.0 OUTLIER -42.2 113.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.842 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -175.68 134.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.926 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 408' ' ' VAL . . . . . 0.488 HG13 ' HE2' ' B' ' 406' ' ' PHE . 2.6 m -54.07 143.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 43.23 111.111 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 39.2 t -82.62 154.08 25.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.85 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -51.45 -34.49 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 74.23 110.945 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.1 p -59.0 -39.73 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.116 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.696 HD11 ' HB ' ' B' ' 370' ' ' VAL . 87.8 mt -72.9 -44.16 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.148 179.887 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 9.0 mtt -62.98 -33.34 75.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.925 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.19 -53.32 11.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.896 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -56.79 -40.12 75.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.891 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 73.0 p -55.06 -51.86 65.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 71.33 110.829 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 417' ' ' THR . . . . . 0.563 HG22 ' OD1' ' A' ' 421' ' ' ASN . 58.7 m -52.92 -50.04 64.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 73.02 111.148 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -44.02 47.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 71.21 110.841 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.595 HD22 HD12 ' B' ' 380' ' ' LEU . 80.0 mt -74.41 -38.16 63.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 71.2 110.957 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.28 -60.12 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.942 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.563 ' OD1' HG22 ' A' ' 417' ' ' THR . 10.5 m120 -56.68 -35.73 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.14 110.911 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -53.07 -53.72 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.931 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 423' ' ' PHE . . . . . 0.565 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 20.1 m-85 -71.56 -35.87 70.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -58.06 -53.97 52.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 63.42 110.883 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.36 -32.27 48.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 44.24 110.868 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 9.8 mtm -80.63 -27.45 37.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.871 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.4 ' HA ' ' HE2' ' B' ' 387' ' ' MET . 1.6 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.912 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.888 0.375 . . . . 65.44 110.898 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -36.79 61.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 74.02 110.871 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.63 -37.16 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.833 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -38.31 83.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 65.45 110.86 -179.782 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -74.33 -34.18 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 64.45 110.856 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.616 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.7 mp -71.08 -47.79 56.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 63.21 110.9 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.36 -30.08 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.928 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.18 -39.35 55.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.895 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 355' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.2 mt -63.61 -38.44 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 75.43 111.155 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -70.38 -46.38 64.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.889 179.836 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.87 84.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.04 111.104 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.98 -43.08 77.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.855 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 40.4 mt -69.8 -33.96 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 62.43 111.16 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -52.42 -51.96 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 74.3 110.893 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -75.16 -27.05 59.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.918 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -77.49 -4.07 43.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.894 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 57.5 mt -121.56 25.82 9.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 45.15 110.906 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 170.39 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.88 179.865 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 365' ' ' ILE . . . . . 1.049 HD11 HG22 ' A' ' 403' ' ' ILE . 6.0 tp -84.73 -40.52 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 74.33 111.133 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 366' ' ' ASP . . . . . 0.422 ' N ' HG23 ' B' ' 365' ' ' ILE . 31.6 t70 -91.89 -32.55 15.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 64.14 110.871 179.842 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -110.63 36.26 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 65.1 110.918 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 368' ' ' LEU . . . . . 0.56 HD13 ' CE2' ' A' ' 406' ' ' PHE . 16.3 tp -53.33 107.67 0.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.934 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -122.92 69.18 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.856 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 370' ' ' VAL . . . . . 0.696 ' HB ' HD11 ' A' ' 412' ' ' ILE . 7.2 m -53.68 -30.06 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 64.02 111.146 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -52.14 -40.29 61.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 73.44 110.879 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.7 -34.5 60.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 64.21 110.87 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.32 -46.46 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 61.02 110.924 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -66.06 -36.61 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 64.33 111.162 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.21 -38.08 89.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 376' ' ' ALA . . . . . 0.517 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.56 -52.59 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.15 111.124 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 16.4 mt -52.24 -42.04 63.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.896 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -62.96 -35.53 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 54.03 110.862 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.33 -50.04 71.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 62.51 110.88 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.595 HD12 HD22 ' A' ' 419' ' ' LEU . 2.3 tm? -52.91 -45.49 67.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 72.31 110.932 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.97 -33.79 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 71.22 111.084 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.73 -28.75 61.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 63.33 110.844 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.15 96.87 10.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.918 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.71 69.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 65.43 110.902 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 385' ' ' VAL . . . . . 0.42 HG22 ' O ' ' B' ' 386' ' ' THR . 2.7 p -66.82 141.14 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 70.11 111.125 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 386' ' ' THR . . . . . 0.42 ' O ' HG22 ' B' ' 385' ' ' VAL . 14.2 t -77.05 174.88 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 45.24 111.12 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 387' ' ' MET . . . . . 0.4 ' HE2' ' HA ' ' A' ' 427' ' ' PHE . 10.5 tpt -68.33 -40.23 81.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.866 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -51.92 -48.9 64.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.857 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -36.26 63.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.12 110.937 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.88 97.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 62.03 111.108 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -36.19 46.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 71.43 110.918 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -71.48 -34.78 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 54.25 110.89 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -95.27 35.62 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.855 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.429 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.2 OUTLIER -53.05 -35.27 59.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 54.13 111.145 -179.932 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.44 -42.14 91.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 74.34 110.822 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 27.7 ttp -55.26 -49.21 72.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.924 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 397' ' ' ILE . . . . . 0.795 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.7 mp -58.53 -45.91 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 71.44 111.171 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 398' ' ' THR . . . . . 0.472 HG22 ' HE2' ' B' ' 402' ' ' LYS . 0.5 OUTLIER -54.09 -36.13 62.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 55.43 111.173 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.1 m -70.54 -37.04 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.54 111.165 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 400' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' B' ' 397' ' ' ILE . 19.0 mt -61.04 -35.23 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 75.11 110.943 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -76.89 -29.11 55.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 60.31 110.907 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 402' ' ' LYS . . . . . 0.472 ' HE2' HG22 ' B' ' 398' ' ' THR . 16.5 mttm -75.45 -35.08 60.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 72.14 110.905 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 403' ' ' ILE . . . . . 1.035 HG22 HD11 ' A' ' 365' ' ' ILE . 39.3 pt -73.3 -1.74 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 52.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -33.81 42.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 71.35 110.88 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.13 -20.01 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 65.42 110.901 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 406' ' ' PHE . . . . . 0.49 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 1.1 t80 -41.98 112.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 70.24 110.903 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -175.05 134.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 62.2 110.918 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 408' ' ' VAL . . . . . 0.572 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.8 m -55.01 141.47 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 71.22 111.132 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.5 t -81.05 155.59 26.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.853 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -52.55 -34.14 48.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 73.33 110.933 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -58.52 -39.98 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 73.1 111.138 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 412' ' ' ILE . . . . . 0.692 HD11 ' HB ' ' A' ' 370' ' ' VAL . 85.7 mt -73.09 -46.55 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 71.34 111.143 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 9.0 mtt -62.1 -31.37 71.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.897 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.79 -51.51 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.912 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -59.87 -38.34 81.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.32 110.909 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.2 p -55.51 -51.93 65.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 61.13 110.864 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.6 m -53.67 -43.01 68.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.503 . . . . 52.43 111.141 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -50.44 63.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 74.22 110.871 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 419' ' ' LEU . . . . . 0.663 HD22 HD12 ' A' ' 380' ' ' LEU . 81.5 mt -71.9 -39.6 69.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 43.52 110.9 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -51.78 -62.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.958 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -57.32 -33.8 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 72.53 110.851 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -52.85 -52.01 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 71.45 110.89 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -72.62 -36.75 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 54.34 110.873 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -57.41 -54.25 48.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 71.03 110.869 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.06 -32.67 48.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 62.42 110.862 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 9.4 mtm -80.96 -27.69 35.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.921 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 427' ' ' PHE . . . . . 0.492 ' HA ' ' HE2' ' A' ' 387' ' ' MET . 1.6 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.892 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.896 0.379 . . . . 74.34 110.854 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -163.9 134.9 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 73.04 110.912 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . 179.68 -169.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 50.24 111.125 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -172.48 49.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 74.12 111.12 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 52.5 p -78.08 -175.91 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 73.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -143.58 -61.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 71.32 110.881 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.8 122.16 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.144 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.85 -47.89 60.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 60.3 110.871 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.57 -37.69 63.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 71.15 110.884 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.73 -36.3 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.845 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.8 t -68.96 -38.91 79.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 64.41 110.839 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.623 ' CZ ' HD21 ' A' ' 383' ' ' LEU . 11.9 ptm180 -74.83 -34.25 62.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 74.54 110.893 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.696 ' HA ' HD12 ' A' ' 355' ' ' ILE . 7.2 mt -69.62 -47.57 62.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 73.52 110.885 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.29 -27.44 62.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 72.33 110.904 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -76.87 -39.56 50.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 75.43 110.885 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 352' ' ' LEU . 30.2 mt -59.63 -38.7 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 73.14 111.142 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -72.1 -48.15 46.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.853 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.42 98.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 63.02 111.08 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -55.09 -46.52 75.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 64.34 110.91 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.446 HG23 ' SG ' ' A' ' 373' ' ' CYS . 43.7 mt -64.75 -33.4 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 73.32 111.107 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -63.01 -52.06 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.888 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -69.88 -30.22 67.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 61.12 110.942 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 13.6 p -75.67 -27.94 58.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 73.51 110.818 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.443 HD12 HG22 ' A' ' 359' ' ' ILE . 36.4 mt -94.38 26.84 3.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 63.44 110.924 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.47 170.4 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.876 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 0.941 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.29 -38.93 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 75.13 111.154 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -91.71 -32.67 15.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 72.25 110.869 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -106.57 36.4 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 65.54 110.881 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' B' ' 406' ' ' PHE . 16.2 tp -56.65 107.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 61.41 110.903 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -134.13 76.64 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.882 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.579 ' HB ' HD11 ' B' ' 412' ' ' ILE . 11.6 m -51.34 -29.21 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.13 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -51.71 -37.93 52.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.875 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -35.89 59.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 74.44 110.837 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 359' ' ' ILE . 7.9 t -54.76 -58.87 5.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 70.04 110.894 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.29 -40.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 55.44 111.148 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.61 -36.25 73.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.906 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.472 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -77.14 -53.88 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 74.24 111.099 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 17.4 mt -52.17 -35.45 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -63.22 -39.69 95.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 44.25 110.886 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -67.5 -50.0 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 34.12 110.903 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.625 HD12 HD13 ' B' ' 419' ' ' LEU . 3.3 tm? -52.93 -36.08 59.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 52.31 110.947 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.546 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -72.01 -40.27 68.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 53.33 111.13 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -35.76 74.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.831 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.623 HD21 ' CZ ' ' A' ' 351' ' ' ARG . 56.2 mt -61.0 135.76 57.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 63.21 110.93 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -92.64 56.24 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.957 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.89 136.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 44.12 111.109 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -100.45 172.84 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 72.12 111.12 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.2 tpt -55.23 -39.01 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.894 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -54.27 -52.66 60.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 70.25 110.948 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -72.99 -37.22 67.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 70.44 110.947 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.28 70.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.34 111.1 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 391' ' ' GLN . . . . . 0.47 ' O ' HG23 ' A' ' 394' ' ' THR . 1.6 mt-30 -51.8 -36.03 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.95 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -75.85 -35.8 59.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 71.12 110.881 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -97.96 35.55 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 70.14 110.832 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.607 HG22 ' CZ ' ' B' ' 427' ' ' PHE . 7.5 p -63.81 -34.53 78.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 63.35 111.159 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.24 -50.12 70.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 65.31 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.502 ' CE ' HD22 ' A' ' 352' ' ' LEU . 55.1 ttp -55.34 -35.19 64.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.91 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.813 ' HA ' HD12 ' A' ' 400' ' ' LEU . 49.9 mt -66.81 -35.38 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 64.34 111.126 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 2.7 m -59.88 -41.37 91.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 71.25 111.109 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.7 m -63.0 -40.09 96.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 64.32 111.162 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 397' ' ' ILE . 15.6 mt -52.96 -35.02 58.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.898 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -76.4 -28.47 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 75.05 110.884 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -75.79 -35.47 60.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 71.01 110.916 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 0.958 HG22 HD11 ' B' ' 365' ' ' ILE . 35.7 pt -73.13 -1.65 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.44 111.147 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -34.54 43.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.848 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -18.26 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.863 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.5 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -41.12 119.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 75.04 110.867 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.17 135.75 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.863 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.2 134.4 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 43.23 111.17 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 31.1 t -70.65 173.48 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.872 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.76 -34.16 64.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.966 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' VAL . . . . . 0.438 HG13 HG13 ' A' ' 412' ' ' ILE . 5.4 p -53.17 -41.1 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.11 111.149 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.583 HD11 ' HB ' ' B' ' 370' ' ' VAL . 93.8 mt -73.84 -48.3 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.31 111.133 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 19.5 mtm -56.7 -33.48 66.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 65.12 110.846 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -72.89 -52.97 12.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.899 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -58.64 -40.0 82.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.923 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 78.6 p -55.07 -49.9 70.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.829 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 85.8 m -55.09 -40.66 70.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 73.02 111.187 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 11.5 ttp -56.34 -49.35 74.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 71.21 110.896 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' B' ' 381' ' ' ALA . 53.6 mt -71.98 -37.39 69.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 71.2 110.943 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.538 ' CE1' HD13 ' A' ' 444' ' ' LEU . 29.0 t80 -62.74 -41.73 99.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.933 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.14 -45.27 57.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.14 110.844 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -53.66 -50.15 66.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.92 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -60.5 -40.43 91.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -58.13 -51.56 69.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 63.42 110.85 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.07 -35.38 47.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 44.24 110.916 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 34.9 mtm -73.76 -34.68 64.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.905 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.595 ' CZ ' HG22 ' B' ' 394' ' ' THR . 16.7 m-85 -69.2 -36.37 77.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 65.35 110.906 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.7 HD13 ' HB2' ' A' ' 431' ' ' GLU . 4.4 pp -85.54 -34.87 21.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 74.31 110.937 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.555 ' N ' HD12 ' A' ' 428' ' ' LEU . 96.9 t 59.55 85.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 70.12 111.133 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 67.54 141.27 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.772 -0.728 . . . . 25.3 112.456 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.7 ' HB2' HD13 ' A' ' 428' ' ' LEU . 1.0 OUTLIER -178.05 134.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 75.24 110.905 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -67.4 88.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 64.41 112.493 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -53.19 134.1 39.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 72.32 110.85 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 28.3 p -143.33 84.02 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.87 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 8.4 t 67.1 117.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 45.03 111.099 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.36 128.42 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 70.31 111.083 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.33 -173.37 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.3 111.127 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.78 67.88 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.914 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 18.8 m -146.06 -173.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 34.11 111.153 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.424 ' CD2' HD22 ' A' ' 428' ' ' LEU . 0.3 OUTLIER 63.2 162.19 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 61.0 110.96 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 445' ' ' ALA . 25.5 m120 57.8 95.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 64.43 110.873 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.04 -36.65 19.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.11 110.855 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 6.0 t -54.71 -53.56 53.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 75.3 110.875 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' LEU . . . . . 0.538 HD13 ' CE1' ' A' ' 420' ' ' TYR . 13.9 mt -73.8 -35.77 64.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 75.3 110.889 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 441' ' ' ASN . . . -51.67 -35.77 43.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 72.32 111.095 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.18 -52.95 61.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 72.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -36.18 61.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 64.54 110.92 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -59.18 -58.79 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 53.15 110.894 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -52.16 -36.45 51.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.915 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -64.97 -38.6 91.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.852 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -77.32 -55.9 5.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.894 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -36.27 53.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.843 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.69 -35.82 56.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.081 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.41 -43.02 15.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.14 110.87 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.48 176.2 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.887 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.6 m -148.97 92.57 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 60.34 111.148 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 5.3 pttm -60.12 -173.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 72.51 110.871 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 48.8 t0 63.29 90.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 75.11 110.879 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.11 166.37 10.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 44.03 110.926 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -152.12 160.43 28.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 70.4 112.486 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.27 -35.76 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 74.2 110.917 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 179.19 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 65.12 110.88 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -165.23 -70.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 54.43 112.485 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -47.34 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.629 2.219 . . . . 72.11 112.378 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 61.01 94.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.928 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.33 -62.19 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.878 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 65.2 110.903 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.893 0.378 . . . . 74.43 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 341' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' B' ' 342' ' ' ALA . 1.6 t-20 -179.33 -170.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 74.02 110.886 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 342' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 341' ' ' ASN . . . 66.74 175.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 50.42 111.076 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -169.04 66.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.44 111.096 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 52.0 p -62.35 -169.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 61.04 110.833 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -135.57 -63.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.35 110.857 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.69 120.1 9.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 65.14 111.099 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.53 -48.93 53.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.841 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.25 -37.42 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 74.02 110.851 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.86 -35.03 64.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 75.42 110.848 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.8 t -69.68 -37.71 76.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 65.45 110.874 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 351' ' ' ARG . . . . . 0.672 ' CZ ' HD21 ' B' ' 383' ' ' LEU . 11.4 ptm180 -74.64 -34.48 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 64.45 110.917 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.77 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.2 mp -69.85 -48.15 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 63.21 110.867 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -56.75 -29.47 62.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 64.41 110.913 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -75.65 -39.79 57.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 71.42 110.866 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.77 HD12 ' HA ' ' B' ' 352' ' ' LEU . 18.1 mt -59.98 -38.28 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.148 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -71.68 -45.15 62.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.891 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.07 95.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 75.04 111.065 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -55.28 -46.4 76.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.88 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.442 HG23 ' SG ' ' B' ' 373' ' ' CYS . 48.4 mt -64.21 -33.98 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 62.43 111.151 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -62.93 -52.13 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.3 110.92 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -69.67 -30.09 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.88 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 15.3 p -75.72 -28.41 58.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.846 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.409 HD12 HG22 ' B' ' 359' ' ' ILE . 38.1 mt -94.01 26.8 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 45.15 110.911 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.37 170.48 8.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.89 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 0.958 HD11 HG22 ' A' ' 403' ' ' ILE . 5.5 tp -84.26 -38.77 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.33 111.147 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -91.91 -32.51 15.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 64.14 110.868 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -106.67 36.49 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 65.1 110.878 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 406' ' ' PHE . 16.6 tp -56.55 107.78 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.897 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -134.88 76.25 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.871 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.583 ' HB ' HD11 ' A' ' 412' ' ' ILE . 12.2 m -51.36 -28.79 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 64.02 111.133 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -51.8 -37.9 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.914 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -35.62 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 64.21 110.856 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.442 ' SG ' HG23 ' B' ' 359' ' ' ILE . 8.2 t -54.65 -58.84 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 61.02 110.916 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.26 -39.53 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 64.33 111.116 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.4 -36.86 74.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.568 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -77.02 -53.79 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 73.15 111.104 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 17.2 mt -52.21 -35.78 50.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 72.3 110.93 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -64.93 -37.1 86.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 54.03 110.853 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.1 -50.14 56.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 62.51 110.883 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.672 HD13 ' O ' ' B' ' 380' ' ' LEU . 1.9 tm? -55.68 -36.77 67.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.925 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 381' ' ' ALA . . . . . 0.487 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -68.74 -35.82 77.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.079 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -35.17 59.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 63.33 110.835 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.672 HD21 ' CZ ' ' B' ' 351' ' ' ARG . 33.8 mt -60.6 136.93 58.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 71.02 110.969 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -93.93 56.48 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 65.43 110.905 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.95 137.54 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 70.11 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -100.44 172.93 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 45.24 111.147 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.12 -38.86 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 75.31 110.852 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -54.63 -51.63 64.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 74.44 110.915 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -73.84 -36.7 64.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.65 73.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 62.03 111.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 391' ' ' GLN . . . . . 0.496 ' O ' HG23 ' B' ' 394' ' ' THR . 1.6 mt-30 -52.18 -36.13 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 71.43 110.942 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -75.21 -35.91 61.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 54.25 110.885 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 393' ' ' HIS . . . . . 0.509 ' CG ' HD23 ' B' ' 352' ' ' LEU . 80.3 m80 -98.18 35.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 74.34 110.842 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.595 HG22 ' CZ ' ' A' ' 427' ' ' PHE . 7.5 p -63.17 -34.85 78.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 54.13 111.159 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.38 -49.45 72.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.885 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 55.3 ttp -55.43 -35.84 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.43 110.885 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.812 ' HA ' HD12 ' B' ' 400' ' ' LEU . 52.8 mt -65.77 -35.38 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.44 111.146 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 2.8 m -59.79 -42.37 93.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 55.43 111.181 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 96.6 m -61.59 -40.63 95.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 71.54 111.129 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.812 HD12 ' HA ' ' B' ' 397' ' ' ILE . 15.7 mt -53.03 -35.15 59.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.93 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -76.32 -28.49 56.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 60.31 110.91 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -75.55 -35.76 60.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.924 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.941 HG22 HD11 ' A' ' 365' ' ' ILE . 35.6 pt -72.97 -1.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 52.0 111.154 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -34.82 45.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.892 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.13 -18.26 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 65.42 110.869 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.513 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -41.13 119.87 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 70.24 110.922 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.7 134.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 62.2 110.875 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 8.6 p -61.27 135.74 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 71.22 111.146 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 29.9 t -72.19 174.02 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 64.22 110.852 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.94 -34.27 64.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 73.33 110.91 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 411' ' ' VAL . . . . . 0.428 HG13 HG13 ' B' ' 412' ' ' ILE . 5.3 p -53.31 -41.0 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 73.1 111.14 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.579 HD11 ' HB ' ' A' ' 370' ' ' VAL . 93.4 mt -73.75 -48.32 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 71.34 111.139 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 20.1 mtm -56.77 -33.25 66.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.902 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -72.75 -53.45 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -58.48 -40.04 81.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.854 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.2 p -54.98 -49.63 70.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 61.13 110.832 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 86.3 m -55.61 -40.39 72.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 52.43 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 11.6 ttp -56.7 -48.73 77.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.834 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.625 HD13 HD12 ' A' ' 380' ' ' LEU . 57.8 mt -72.57 -37.12 68.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 43.52 110.924 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.51 ' CE1' HD13 ' B' ' 444' ' ' LEU . 29.5 t80 -63.03 -41.82 99.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.05 110.898 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -45.34 58.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.53 110.887 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -53.4 -49.82 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.894 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -60.22 -42.2 94.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 54.34 110.932 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -56.49 -51.36 68.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 71.03 110.863 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -52.12 -35.76 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 62.42 110.872 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 34.5 mtm -73.79 -34.76 64.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.903 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 427' ' ' PHE . . . . . 0.607 ' CZ ' HG22 ' A' ' 394' ' ' THR . 17.2 m-85 -69.27 -36.58 77.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.915 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.691 HD13 ' HB2' ' B' ' 431' ' ' GLU . 4.3 pp -85.3 -35.1 21.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.545 ' N ' HD12 ' B' ' 428' ' ' LEU . 96.9 t 59.66 86.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.44 111.129 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 68.4 142.22 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 42.01 112.451 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.691 ' HB2' HD13 ' B' ' 428' ' ' LEU . 1.0 OUTLIER -179.35 130.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 62.22 110.866 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -77.19 68.38 2.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 64.44 112.466 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.82 131.68 35.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 74.12 110.86 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 434' ' ' SER . . . . . 0.595 ' O ' HG13 ' B' ' 435' ' ' VAL . 28.0 p -143.52 35.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 63.33 110.858 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.595 HG13 ' O ' ' B' ' 434' ' ' SER . 0.0 OUTLIER -169.64 90.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 65.41 111.135 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 2.1 mp -60.43 109.68 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 70.25 111.122 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -162.18 -172.52 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 73.13 111.13 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.87 70.0 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 54.42 110.9 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 19.4 m -146.2 -174.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 74.11 111.144 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 440' ' ' LEU . . . . . 0.453 HD23 HD22 ' B' ' 428' ' ' LEU . 0.3 OUTLIER 63.08 162.23 0.1 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.918 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 441' ' ' ASN . . . . . 0.485 ' O ' ' HB2' ' B' ' 445' ' ' ALA . 25.2 m120 58.06 95.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 71.33 110.875 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -36.82 18.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.869 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 6.0 t -54.83 -53.16 58.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 55.1 110.86 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 444' ' ' LEU . . . . . 0.51 HD13 ' CE1' ' B' ' 420' ' ' TYR . 14.0 mt -74.04 -35.95 64.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.914 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 445' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' B' ' 441' ' ' ASN . . . -51.68 -35.62 43.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 72.51 111.097 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.25 -52.96 61.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.867 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -36.03 60.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 75.01 110.929 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -59.19 -58.76 7.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.911 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -52.25 -37.02 54.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.875 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -64.66 -38.3 90.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 65.3 110.843 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -77.6 -55.66 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.43 110.837 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.55 -36.14 55.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 65.55 110.906 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.58 -35.73 54.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 64.13 111.082 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.35 -42.88 15.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.897 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.4 176.25 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.913 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 2.6 m -149.26 92.21 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 63.12 111.141 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -59.89 -174.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 73.2 110.893 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 48.6 t0 63.25 91.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.877 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.57 166.05 10.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 60.35 110.883 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -151.89 160.29 28.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 71.53 112.511 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 -32.87 4.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.864 0.364 . . . . 72.41 110.91 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.72 179.83 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 72.34 110.901 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -166.35 -70.84 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 65.23 112.486 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.04 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.652 2.234 . . . . 74.05 112.357 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 61.38 94.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 71.54 110.886 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.19 -62.61 1.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 72.33 110.858 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 61.23 110.907 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.893 0.378 . . . . 74.34 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -141.3 154.47 45.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 73.04 110.94 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -85.88 94.36 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 50.24 111.095 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -120.67 -37.93 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.12 111.117 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 3.0 t 63.5 166.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 73.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.75 -175.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.828 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 11.9 p 50.33 33.79 8.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 73.11 111.19 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -36.0 69.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 60.3 110.872 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -39.78 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 71.15 110.925 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.85 -35.72 64.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.807 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -37.74 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.825 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.405 HH11 HD22 ' A' ' 383' ' ' LEU . 8.4 ptp180 -74.72 -33.93 62.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 74.54 110.929 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.672 ' HA ' HD12 ' A' ' 355' ' ' ILE . 1.5 mp -70.7 -47.8 57.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.52 110.884 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -56.76 -29.36 62.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.908 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -77.23 -39.65 47.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.874 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 352' ' ' LEU . 18.2 mt -62.22 -39.22 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.14 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -72.06 -41.56 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.44 110.856 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.02 79.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 63.02 111.085 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.13 -43.81 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 64.34 110.87 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.449 HG22 HD12 ' A' ' 363' ' ' LEU . 44.4 mt -64.62 -34.89 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 73.32 111.163 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -58.45 -47.28 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.875 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.75 -30.78 59.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 61.12 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 7.0 p -77.98 -3.08 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.51 110.857 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.449 HD12 HG22 ' A' ' 359' ' ' ILE . 50.4 mt -121.27 26.06 9.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 63.44 110.917 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 170.88 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.902 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 1.097 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.81 -41.11 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.13 111.125 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.428 ' N ' HG23 ' A' ' 365' ' ' ILE . 21.7 t0 -91.97 -32.46 15.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.891 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.78 36.26 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 65.54 110.871 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.548 HD13 ' CD1' ' B' ' 406' ' ' PHE . 16.9 tp -53.52 107.79 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 61.41 110.895 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.99 68.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.846 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.621 ' HB ' HD11 ' B' ' 412' ' ' ILE . 9.8 m -52.15 -30.91 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.112 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -52.38 -41.44 63.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 71.21 110.822 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.6 -33.42 60.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.897 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 31.0 t -53.11 -47.24 68.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 70.04 110.952 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.45 -47.14 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 55.44 111.116 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.88 -35.08 43.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.855 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.461 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.37 -53.96 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 74.24 111.08 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.09 -39.28 63.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 72.3 110.916 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.22 -36.07 82.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 44.25 110.872 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.52 -45.68 68.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 34.12 110.892 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.653 HD12 HD13 ' B' ' 419' ' ' LEU . 3.2 tm? -57.32 -35.42 69.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.497 . . . . 52.31 110.893 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.536 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -70.32 -39.91 74.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 53.33 111.08 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -36.55 73.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.827 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.405 HD22 HH11 ' A' ' 351' ' ' ARG . 64.9 mt -59.31 136.88 58.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 63.21 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -89.11 66.49 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.02 110.874 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.34 142.89 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 44.12 111.092 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.2 t -112.59 171.49 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 72.12 111.161 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 2.8 ttt -55.97 -36.62 68.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 74.23 110.865 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -55.06 -59.3 4.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 70.25 110.898 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -67.44 -37.86 83.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.942 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.38 -45.21 88.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 73.34 111.089 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 391' ' ' GLN . . . . . 0.584 ' O ' HG23 ' A' ' 394' ' ' THR . 1.1 mt-30 -51.65 -36.09 44.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.93 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.1 -35.18 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.12 110.917 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.44 ' CG ' HD23 ' A' ' 352' ' ' LEU . 79.7 m80 -95.27 35.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 70.14 110.847 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 391' ' ' GLN . 8.5 p -59.03 -34.62 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 63.35 111.148 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -55.37 -48.77 73.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 65.31 110.87 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 58.4 ttp -55.41 -38.01 68.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.884 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.722 ' HA ' HD12 ' A' ' 400' ' ' LEU . 41.9 mt -68.15 -35.68 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 64.34 111.148 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 6.9 m -60.51 -43.6 96.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 71.25 111.119 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 63.1 m -62.4 -39.4 93.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 64.32 111.136 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.722 HD12 ' HA ' ' A' ' 397' ' ' ILE . 55.6 mt -51.91 -37.94 54.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.926 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.3 -28.96 57.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 75.05 110.886 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -75.0 -35.52 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 71.01 110.9 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.051 HG22 HD11 ' B' ' 365' ' ' ILE . 36.8 pt -73.57 -1.73 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.145 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -33.58 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 64.01 110.842 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.28 -20.27 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.885 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.555 ' HE2' HG13 ' B' ' 408' ' ' VAL . 0.8 OUTLIER -42.9 113.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.877 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -175.4 134.0 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 74.21 110.905 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.564 HG13 ' HE2' ' B' ' 406' ' ' PHE . 2.3 m -52.66 145.43 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 43.23 111.144 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 35.5 t -86.59 156.61 19.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.856 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -52.09 -36.07 49.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.892 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 411' ' ' VAL . . . . . 0.406 HG13 HG13 ' A' ' 412' ' ' ILE . 6.2 p -58.48 -40.0 77.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 73.11 111.112 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.657 HD11 ' HB ' ' B' ' 370' ' ' VAL . 81.9 mt -72.48 -49.87 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.141 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 8.5 mtt -60.77 -31.93 71.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 65.12 110.867 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -73.23 -52.92 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 73.25 110.932 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -58.89 -39.47 81.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.21 110.924 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 80.3 p -55.1 -50.95 67.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 71.33 110.806 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 40.3 m -52.72 -46.12 67.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 73.02 111.142 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 42.1 ttp -51.89 -52.19 51.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.867 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.705 HD13 HD12 ' B' ' 380' ' ' LEU . 40.1 mt -66.93 -43.38 83.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.2 110.92 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -53.19 -56.11 18.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.919 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -63.0 -35.66 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.897 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -53.29 -53.64 47.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 74.31 110.912 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.639 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 20.7 m-85 -75.47 -36.89 60.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 74.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -55.56 -41.82 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 63.42 110.9 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -34.82 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 44.24 110.881 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 28.8 mtm -76.31 -34.43 59.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.854 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.467 ' CZ ' HG22 ' B' ' 394' ' ' THR . 6.6 m-85 -74.11 -37.01 64.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 65.35 110.886 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.3 pp -84.25 -35.21 23.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.946 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.512 ' N ' HD12 ' A' ' 428' ' ' LEU . 93.2 t 55.76 88.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 70.12 111.146 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 60.57 -96.55 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.799 -0.715 . . . . 25.3 112.491 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -157.79 102.11 1.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.936 0.398 . . . . 75.24 110.852 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -56.07 -77.95 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.759 . . . . 64.41 112.506 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -115.76 110.63 19.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 72.32 110.847 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.89 111.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.02 110.866 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 30.4 m -147.34 149.15 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 45.03 111.138 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.08 -32.85 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 70.31 111.122 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 439' ' ' VAL . 31.0 p -62.24 177.75 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 73.3 111.161 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -61.28 119.46 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 73.44 110.865 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 437' ' ' THR . 7.6 t -116.03 50.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 34.11 111.087 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.597 HD21 ' HE3' ' A' ' 461' ' ' LYS . 2.0 mt -115.77 -36.09 4.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 61.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -146.56 161.39 40.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 64.43 110.885 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -114.74 -67.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 73.11 110.922 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -53.4 57.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.3 110.881 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.36 -36.04 82.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.3 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.04 -38.69 57.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 72.32 111.115 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.08 -58.86 6.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -65.81 -36.42 83.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 64.54 110.874 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -52.58 -38.14 59.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 53.15 110.847 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -52.45 63.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.904 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -47.94 56.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 75.51 110.819 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -52.24 -40.01 61.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 75.33 110.877 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.2 -37.02 80.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 75.21 110.887 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.93 -35.7 46.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 74.2 111.103 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.44 -37.18 86.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.87 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.86 -171.03 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 73.14 110.912 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.08 95.66 2.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 60.34 111.125 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -173.73 147.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.51 110.868 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -138.3 -176.24 4.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.889 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.06 -64.56 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 44.03 110.947 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 111.65 162.52 17.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.776 -0.726 . . . . 70.4 112.451 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' LYS . . . . . 0.597 ' HE3' HD21 ' A' ' 440' ' ' LEU . 3.7 mttm -169.03 179.3 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 74.2 110.905 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.92 150.96 22.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 65.12 110.892 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -111.74 165.75 12.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 54.43 112.446 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -44.29 2.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 72.11 112.325 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 56.9 t30 63.67 70.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 63.41 110.895 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 65.95 169.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.883 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 65.2 110.904 179.88 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 42.0 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.879 0.371 . . . . 74.43 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -139.22 157.09 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 74.02 110.897 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -88.06 97.11 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 50.42 111.104 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -121.05 -45.81 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.092 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 2.9 t 51.95 77.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 61.04 110.851 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.66 163.14 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 74.35 110.857 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 14.9 p 49.79 43.83 24.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 65.14 111.172 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -34.42 78.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 65.44 110.812 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -38.07 61.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 74.02 110.875 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.49 -35.94 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.42 110.829 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -38.17 79.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 65.45 110.829 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.62 -35.78 62.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 64.45 110.831 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.719 ' HA ' HD12 ' B' ' 355' ' ' ILE . 10.3 mt -70.52 -47.89 58.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 63.21 110.939 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -56.99 -29.36 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.894 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -76.3 -39.36 54.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.877 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' B' ' 352' ' ' LEU . 13.8 mt -62.54 -40.09 86.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.43 111.131 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -69.27 -39.71 78.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.88 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.6 -42.24 71.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 75.04 111.094 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.72 -43.14 76.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 74.45 110.849 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.441 HG22 HD12 ' B' ' 363' ' ' LEU . 44.3 mt -64.71 -35.19 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 62.43 111.086 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -58.34 -46.97 85.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.859 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.65 -30.98 59.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 75.2 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.0 p -78.07 -3.04 40.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.836 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.441 HD12 HG22 ' B' ' 359' ' ' ILE . 50.6 mt -121.39 26.05 9.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 45.15 110.937 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 171.23 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.881 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.051 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.94 -40.74 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 74.33 111.134 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.425 ' N ' HG23 ' B' ' 365' ' ' ILE . 21.8 t0 -92.57 -32.28 14.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.871 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.8 36.36 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 65.1 110.87 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 406' ' ' PHE . 18.0 tp -53.68 107.71 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.919 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.43 68.94 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.844 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.657 ' HB ' HD11 ' A' ' 412' ' ' ILE . 10.2 m -51.91 -30.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 64.02 111.127 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -52.23 -41.19 62.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 73.44 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -75.8 -33.2 60.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 64.21 110.838 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 31.3 t -53.25 -47.94 68.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 61.02 110.889 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -64.54 -46.35 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 64.33 111.13 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.94 -35.83 47.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 75.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.614 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.01 -53.87 7.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.15 111.096 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 13.1 mt -52.37 -36.6 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.871 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.44 -36.12 82.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 54.03 110.86 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -49.89 57.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 62.51 110.92 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.705 HD12 HD13 ' A' ' 419' ' ' LEU . 3.1 tm? -54.26 -35.96 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 72.31 110.959 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 381' ' ' ALA . . . . . 0.511 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -69.93 -42.8 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.22 111.081 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -36.26 77.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 63.33 110.826 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 65.2 mt -59.84 136.91 58.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 71.02 110.895 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -88.74 66.36 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 65.43 110.914 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.15 142.28 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 70.11 111.123 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -112.31 171.29 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 45.24 111.163 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 2.8 ttt -55.42 -37.12 67.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 75.31 110.839 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.72 -59.17 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 74.44 110.898 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -67.68 -37.59 82.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.94 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.04 88.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 62.03 111.086 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 391' ' ' GLN . . . . . 0.593 ' O ' HG23 ' B' ' 394' ' ' THR . 1.2 mt-30 -52.19 -35.95 50.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.889 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -35.52 45.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 54.25 110.895 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -95.23 35.52 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.863 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 391' ' ' GLN . 7.1 p -58.58 -34.89 71.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 54.13 111.12 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -55.35 -49.25 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.886 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.9 ttp -55.7 -35.79 66.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.903 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.727 ' HA ' HD12 ' B' ' 400' ' ' LEU . 22.9 mt -69.08 -36.45 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 71.44 111.123 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 7.3 m -61.51 -43.13 99.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 55.43 111.115 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 62.1 m -61.28 -41.13 96.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 71.54 111.146 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' B' ' 397' ' ' ILE . 25.8 mt -52.67 -36.14 56.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.891 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.68 -28.84 56.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 60.31 110.869 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -75.89 -35.29 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 72.14 110.928 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 1.097 HG22 HD11 ' A' ' 365' ' ' ILE . 40.3 pt -73.12 -1.76 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 52.0 111.152 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -33.82 44.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 71.35 110.884 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.69 -20.26 7.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 65.42 110.844 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.564 ' HE2' HG13 ' A' ' 408' ' ' VAL . 0.8 OUTLIER -42.65 113.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 70.24 110.885 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -175.67 134.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 62.2 110.922 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.555 HG13 ' HE2' ' A' ' 406' ' ' PHE . 2.3 m -52.63 144.74 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 71.22 111.101 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 35.9 t -85.81 156.66 20.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 64.22 110.802 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -51.98 -36.15 48.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 73.33 110.87 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 411' ' ' VAL . . . . . 0.405 HG13 HG13 ' B' ' 412' ' ' ILE . 6.1 p -58.29 -40.18 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 73.1 111.144 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.621 HD11 ' HB ' ' A' ' 370' ' ' VAL . 81.9 mt -72.08 -50.09 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 71.34 111.144 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 8.6 mtt -60.47 -32.43 71.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.871 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -72.82 -52.76 13.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.902 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -58.73 -39.89 82.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.911 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.0 p -55.13 -50.47 69.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 61.13 110.834 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 36.2 m -52.87 -46.66 68.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 52.43 111.157 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 42.2 ttp -51.81 -52.18 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.891 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.653 HD13 HD12 ' A' ' 380' ' ' LEU . 41.0 mt -66.65 -43.85 83.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 43.52 110.938 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -51.58 -57.84 7.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 75.05 110.958 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -60.53 -34.88 74.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 72.53 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -53.28 -53.71 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.45 110.925 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.578 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 82.2 m-85 -74.02 -40.53 62.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 54.34 110.907 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -53.6 -44.02 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 71.03 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -35.93 79.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 62.42 110.868 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 29.0 mtm -76.56 -34.35 58.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 427' ' ' PHE . . . . . 0.476 ' CZ ' HG22 ' A' ' 394' ' ' THR . 6.8 m-85 -74.44 -36.6 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.888 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.488 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.3 pp -84.58 -35.63 22.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 72.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.488 ' N ' HD12 ' B' ' 428' ' ' LEU . 94.0 t 55.49 89.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.115 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 60.52 -96.46 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 42.01 112.499 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -158.05 102.18 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 62.22 110.88 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -55.98 -77.29 0.16 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 64.44 112.475 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -116.31 110.17 18.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 74.12 110.851 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.72 110.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 63.33 110.879 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 30.9 m -146.58 153.13 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 65.41 111.125 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.26 -35.38 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 70.25 111.125 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.415 ' O ' HG23 ' B' ' 439' ' ' VAL . 31.4 p -60.33 178.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 73.13 111.148 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -61.57 120.33 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 54.42 110.909 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 439' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 437' ' ' THR . 7.5 t -116.71 50.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.144 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 440' ' ' LEU . . . . . 0.476 HD21 ' HE3' ' B' ' 461' ' ' LYS . 2.1 mt -115.54 -36.12 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.913 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 441' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' B' ' 445' ' ' ALA . 1.3 m-20 -146.43 161.1 41.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 71.33 110.885 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -114.29 -67.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.929 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -53.28 59.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 55.1 110.863 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.51 -36.16 83.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 73.22 110.904 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 445' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' B' ' 441' ' ' ASN . . . -51.94 -38.78 57.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 72.51 111.105 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -56.05 -58.79 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.921 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -65.64 -36.51 83.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.01 110.917 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -52.55 -37.9 58.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.882 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -53.08 60.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.927 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -47.16 62.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 65.3 110.887 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -52.48 -40.89 62.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.847 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -36.54 80.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 65.55 110.878 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.09 -36.09 49.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 64.13 111.102 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.48 -37.06 85.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.42 110.903 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.76 -170.78 1.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 72.25 110.951 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.27 95.58 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 63.12 111.12 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -173.77 147.14 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.926 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -138.05 -176.14 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 72.44 110.841 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.16 -64.6 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 60.35 110.914 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 110.48 162.33 18.42 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 71.53 112.524 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 461' ' ' LYS . . . . . 0.476 ' HE3' HD21 ' B' ' 440' ' ' LEU . 3.7 mttm -168.75 178.53 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.786 0.327 . . . . 72.41 110.961 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.14 146.75 26.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 72.34 110.893 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -110.39 167.57 12.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 65.23 112.455 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -48.14 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.669 2.246 . . . . 74.05 112.339 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 57.2 t30 51.67 48.19 23.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.54 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 179.58 -178.99 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.892 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 61.23 110.892 179.886 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.868 0.366 . . . . 74.34 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 3.0 t30 179.71 160.58 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 73.04 110.896 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -95.36 58.34 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 50.24 111.094 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -112.06 176.72 4.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.101 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.76 -58.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.892 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.3 168.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 71.32 110.895 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.32 155.79 20.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.11 111.149 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 88.3 p -65.74 -40.52 92.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 60.3 110.822 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.5 tpt -61.4 -40.98 96.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 71.15 110.866 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -35.69 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 75.24 110.862 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -38.79 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.886 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -74.65 -34.17 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.863 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 355' ' ' ILE . 11.6 mt -71.51 -47.42 55.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 73.52 110.91 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.05 -28.3 62.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 72.33 110.933 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -74.66 -35.56 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 75.43 110.875 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 352' ' ' LEU . 32.8 mt -63.26 -41.09 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.164 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -71.85 -40.91 68.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 71.44 110.889 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.93 -44.96 75.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 63.02 111.099 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -55.12 -48.19 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 64.34 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.524 HG22 HD12 ' A' ' 363' ' ' LEU . 43.3 mt -61.68 -35.19 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.11 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -59.35 -46.19 89.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.907 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -75.8 -30.4 59.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 61.12 110.922 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -80.15 -1.16 39.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 73.51 110.867 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.524 HD12 HG22 ' A' ' 359' ' ' ILE . 38.4 mt -121.84 26.16 8.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 63.44 110.929 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.54 170.09 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.89 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 1.086 HD11 HG22 ' B' ' 403' ' ' ILE . 6.0 tp -84.71 -39.74 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 75.13 111.141 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.407 ' N ' HG23 ' A' ' 365' ' ' ILE . 2.8 p30 -91.75 -32.28 15.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 72.25 110.876 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -111.84 36.64 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 65.54 110.872 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.601 HD13 ' CE1' ' B' ' 406' ' ' PHE . 17.2 tp -53.24 107.92 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 61.41 110.892 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -123.98 69.29 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.15 110.897 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.654 ' HB ' HD11 ' B' ' 412' ' ' ILE . 7.5 m -52.28 -29.1 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 73.32 111.105 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -52.03 -43.12 63.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.89 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -75.02 -33.69 61.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.838 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 37.4 t -53.33 -42.04 66.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.888 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -70.3 -47.61 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 55.44 111.133 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -51.63 -35.36 41.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.866 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.499 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -74.83 -52.39 11.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.098 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 10.5 mt -52.08 -36.07 49.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.969 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.6 -42.32 91.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 44.25 110.837 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -45.94 90.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 34.12 110.906 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.848 HD21 ' HE3' ' A' ' 396' ' ' MET . 0.2 OUTLIER -52.34 -52.48 53.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 52.31 110.922 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.49 -30.67 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 53.33 111.103 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.53 -35.22 60.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.862 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.21 108.64 4.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 63.21 110.925 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.54 59.93 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.876 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 385' ' ' VAL . . . . . 0.409 HG23 ' CB ' ' A' ' 389' ' ' GLN . 5.8 p -67.2 137.57 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 44.12 111.166 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -92.19 171.64 8.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.12 111.115 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -38.35 63.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.83 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -52.09 -58.3 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 70.25 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 389' ' ' GLN . . . . . 0.409 ' CB ' HG23 ' A' ' 385' ' ' VAL . 2.4 mp0 -71.29 -35.76 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.912 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.39 -51.25 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.121 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -51.92 -38.49 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -71.72 -34.77 69.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.893 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -95.2 35.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 70.14 110.803 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.718 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.0 OUTLIER -61.34 -38.11 85.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 63.35 111.116 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.48 -43.68 75.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 65.31 110.862 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.848 ' HE3' HD21 ' A' ' 380' ' ' LEU . 29.8 ttp -57.35 -48.61 78.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.864 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.802 ' HA ' HD12 ' A' ' 400' ' ' LEU . 5.2 mt -57.43 -38.08 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 64.34 111.15 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -41.63 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 71.25 111.18 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.8 m -63.94 -37.47 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 64.32 111.116 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' ' 397' ' ' ILE . 27.0 mt -57.18 -35.58 69.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 73.43 110.922 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -77.17 -28.97 54.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 75.05 110.912 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -75.94 -34.22 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 71.01 110.882 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.033 HG22 HD11 ' B' ' 365' ' ' ILE . 41.1 pt -74.19 -1.7 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 75.44 111.141 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -34.02 37.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.875 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.19 -20.22 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.874 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.559 ' CE1' HG13 ' B' ' 408' ' ' VAL . 0.7 OUTLIER -42.04 114.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.906 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.405 ' HG3' ' HG3' ' B' ' 407' ' ' LYS . 0.0 OUTLIER -176.68 130.01 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.952 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.551 HG13 ' HE2' ' B' ' 406' ' ' PHE . 2.9 m -54.49 141.84 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 43.23 111.079 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 41.2 t -80.57 159.35 25.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.89 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.15 -35.62 67.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.5 p -56.24 -40.07 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 73.11 111.141 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.679 HD11 ' HB ' ' B' ' 370' ' ' VAL . 83.5 mt -72.54 -50.5 34.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.31 111.107 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.6 mtm -59.34 -32.69 70.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 65.12 110.857 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.04 -52.94 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 73.25 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -58.78 -39.81 82.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 75.21 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 80.9 p -55.07 -50.96 67.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.839 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 51.7 m -53.7 -43.81 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 73.02 111.12 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.6 ttp -53.61 -50.51 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.883 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' B' ' 381' ' ' ALA . 35.2 mt -69.93 -40.17 75.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 71.2 110.891 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -53.12 -51.24 62.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.941 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.455 ' HA ' ' HZ3' ' A' ' 424' ' ' LYS . 19.7 m-80 -70.06 -35.85 74.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 73.14 110.941 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -53.95 -53.36 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.924 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -67.71 -37.07 81.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 424' ' ' LYS . . . . . 0.573 ' HE2' HD22 ' A' ' 440' ' ' LEU . 0.1 OUTLIER -56.42 -45.63 80.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 63.42 110.894 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.41 ' HA ' HD21 ' A' ' 428' ' ' LEU . 1.6 m-80 -51.86 -36.91 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 44.24 110.889 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 33.4 mtm -79.11 -35.22 42.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.923 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -68.22 -35.94 78.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 65.35 110.888 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.4 pp -83.58 -35.02 25.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.864 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.541 ' N ' HD12 ' A' ' 428' ' ' LEU . 97.5 t 59.88 87.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 70.12 111.104 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -159.3 -162.21 11.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 25.3 112.509 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -149.75 93.44 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 75.24 110.905 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -136.94 125.65 3.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 64.41 112.496 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -80.62 -38.4 29.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 72.32 110.904 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.4 p -80.37 160.63 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.866 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 10.4 m -128.87 141.17 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 45.03 111.153 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.431 HD12 ' HB2' ' A' ' 438' ' ' GLN . 1.1 pp -127.92 179.52 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 70.31 111.146 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.3 m -110.6 114.71 28.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.3 111.156 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' GLN . . . . . 0.431 ' HB2' HD12 ' A' ' 436' ' ' ILE . 0.0 OUTLIER -178.92 -170.13 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.915 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.88 125.3 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 34.11 111.147 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.573 HD22 ' HE2' ' A' ' 424' ' ' LYS . 11.0 mp -107.56 -35.51 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 61.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ASN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 445' ' ' ALA . 1.3 m-80 -51.73 150.86 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 64.43 110.883 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.11 -66.81 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.909 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.21 -54.96 12.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 75.3 110.837 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.71 -34.06 77.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 75.3 110.909 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.582 ' HB2' ' HB3' ' A' ' 441' ' ' ASN . . . -50.98 -33.87 26.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 72.32 111.076 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -54.93 -60.8 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 72.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.27 -47.51 49.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 64.54 110.89 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -35.68 44.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 53.15 110.882 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -51.54 -35.81 42.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.911 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.92 -35.87 57.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.852 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -58.54 3.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 75.33 110.862 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -51.64 -35.26 41.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 75.21 110.927 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.21 -35.54 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.2 111.097 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -62.84 -35.26 79.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.923 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 63.71 159.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.14 110.892 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.33 -42.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 60.34 111.129 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.74 86.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 72.51 110.896 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -70.76 -176.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.869 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -165.2 -179.51 5.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 44.03 110.96 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 150.8 -150.31 22.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.679 -0.772 . . . . 70.4 112.461 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.6 108.33 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 74.2 110.893 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.05 174.25 5.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 65.12 110.88 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -100.36 -172.42 29.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 54.43 112.516 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.03 69.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 72.11 112.347 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -146.04 -169.42 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 63.41 110.879 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.02 83.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.938 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 65.2 110.901 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.9 0.381 . . . . 74.43 110.9 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 2.9 t30 65.56 155.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 74.02 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -108.16 62.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 50.42 111.115 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -103.87 176.99 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.44 111.125 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.17 -57.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 61.04 110.844 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.55 168.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 74.35 110.887 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.63 154.91 22.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 65.14 111.143 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 88.3 p -65.69 -41.73 92.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 65.44 110.907 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.5 tpt -59.97 -40.64 89.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 74.02 110.863 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.21 -36.18 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.867 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -39.55 74.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 65.45 110.886 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -74.58 -34.43 62.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 64.45 110.829 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.776 ' HA ' HD12 ' B' ' 355' ' ' ILE . 12.3 mt -71.47 -47.79 53.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 63.21 110.919 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -57.96 -29.94 65.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 64.41 110.899 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -72.18 -35.91 69.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.869 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.776 HD12 ' HA ' ' B' ' 352' ' ' LEU . 21.3 mt -63.54 -41.37 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.43 111.121 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -70.45 -40.67 73.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 74.23 110.878 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.37 73.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 75.04 111.113 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -55.24 -47.25 75.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.471 HG22 HD12 ' B' ' 363' ' ' LEU . 41.7 mt -61.97 -35.53 68.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 62.43 111.118 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -58.52 -46.42 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.3 110.913 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.62 -30.77 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.2 110.875 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -78.92 -2.75 41.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.867 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.471 HD12 HG22 ' B' ' 359' ' ' ILE . 47.8 mt -121.52 26.21 8.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 45.15 110.88 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -70.98 170.97 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.894 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.033 HD11 HG22 ' A' ' 403' ' ' ILE . 5.4 tp -84.4 -41.53 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.33 111.115 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.425 ' N ' HG23 ' B' ' 365' ' ' ILE . 2.8 p30 -91.56 -31.54 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 64.14 110.884 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.61 36.14 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 65.1 110.872 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 18.9 tp -53.6 107.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.928 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -125.51 69.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 74.12 110.819 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.679 ' HB ' HD11 ' A' ' 412' ' ' ILE . 7.8 m -52.64 -28.59 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 64.02 111.116 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -51.91 -43.01 63.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -75.16 -33.31 61.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 64.21 110.892 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 37.2 t -53.18 -43.48 67.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 61.02 110.87 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -68.81 -46.68 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 64.33 111.096 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -51.81 -35.78 45.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.584 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -74.65 -51.84 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.15 111.123 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 377' ' ' LEU . . . . . 0.458 HD23 HD12 ' A' ' 419' ' ' LEU . 10.4 mt -52.13 -36.12 50.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.892 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.97 -41.27 91.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 54.03 110.872 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -46.79 86.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 62.51 110.88 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.843 HD21 ' HE3' ' B' ' 396' ' ' MET . 0.2 OUTLIER -52.47 -52.76 52.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.899 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 381' ' ' ALA . . . . . 0.57 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -55.35 -30.71 60.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 71.22 111.114 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -35.1 60.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 63.33 110.829 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.98 109.07 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 71.02 110.915 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.61 60.07 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 65.43 110.915 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 385' ' ' VAL . . . . . 0.402 HG23 ' CB ' ' B' ' 389' ' ' GLN . 5.9 p -67.13 137.48 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 70.11 111.134 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -91.99 171.84 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 45.24 111.115 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -38.36 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.31 110.877 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -51.96 -58.12 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 74.44 110.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 389' ' ' GLN . . . . . 0.402 ' CB ' HG23 ' B' ' 385' ' ' VAL . 2.4 mp0 -71.41 -36.07 71.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.877 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.08 -51.28 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 62.03 111.079 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -52.28 -36.66 53.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 71.43 110.908 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -72.67 -35.28 67.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 54.25 110.9 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -95.34 35.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.709 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.0 OUTLIER -60.83 -38.49 85.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 54.13 111.149 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.38 -42.28 73.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.34 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 396' ' ' MET . . . . . 0.843 ' HE3' HD21 ' B' ' 380' ' ' LEU . 28.3 ttp -58.31 -49.66 76.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.43 110.834 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.792 ' HA ' HD12 ' B' ' 400' ' ' LEU . 5.2 mt -56.7 -38.05 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 71.44 111.122 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -40.32 85.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 55.43 111.143 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -65.6 -35.86 82.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 71.54 111.162 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' B' ' 397' ' ' ILE . 28.4 mt -58.42 -36.13 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.892 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -28.86 56.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 60.31 110.879 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -74.91 -35.25 62.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.869 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 1.086 HG22 HD11 ' A' ' 365' ' ' ILE . 34.7 pt -73.77 -1.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 52.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -34.76 50.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 71.35 110.876 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.96 -19.03 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 65.42 110.894 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.601 ' CE1' HD13 ' A' ' 368' ' ' LEU . 1.7 t80 -42.71 114.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 70.24 110.86 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 407' ' ' LYS . . . . . 0.405 ' HG3' ' HG3' ' A' ' 407' ' ' LYS . 0.0 OUTLIER -178.28 134.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 62.2 110.881 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.559 HG13 ' CE1' ' A' ' 406' ' ' PHE . 2.1 m -51.21 155.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 71.22 111.162 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.3 t -96.65 156.14 16.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.892 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -51.6 -35.41 41.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.934 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -59.58 -39.81 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.128 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.654 HD11 ' HB ' ' A' ' 370' ' ' VAL . 82.6 mt -72.38 -52.17 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 71.34 111.125 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.5 mtm -58.8 -31.16 68.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.837 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.17 -53.36 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.913 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -58.57 -39.11 79.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.32 110.856 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.4 p -55.09 -51.99 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 61.13 110.825 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 44.9 m -52.6 -44.63 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 52.43 111.114 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.6 ttp -53.23 -50.33 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.852 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.49 HD12 HD12 ' A' ' 380' ' ' LEU . 4.3 mm? -69.05 -42.47 76.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 43.52 110.924 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -51.81 -52.0 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.947 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -68.63 -36.01 78.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.913 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -54.38 -53.49 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 71.45 110.86 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -67.56 -36.24 80.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 54.34 110.847 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -45.52 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 71.03 110.89 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 425' ' ' ASN . . . . . 0.407 ' HA ' HD21 ' B' ' 428' ' ' LEU . 1.6 m-80 -51.85 -36.71 49.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 62.42 110.837 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 33.6 mtm -79.45 -35.2 40.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.889 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -68.25 -36.01 78.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 71.21 110.841 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.546 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.4 pp -83.41 -35.1 25.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 72.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.546 ' N ' HD12 ' B' ' 428' ' ' LEU . 97.2 t 59.77 86.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.104 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -159.07 -162.15 11.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 42.01 112.531 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -149.63 93.38 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 62.22 110.925 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -136.86 125.6 3.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 64.44 112.495 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -80.63 -38.24 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 74.12 110.873 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 3.4 p -80.51 160.64 25.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 63.33 110.847 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 3.3 p -128.96 141.32 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 65.41 111.132 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.437 HD12 ' HB2' ' B' ' 438' ' ' GLN . 1.1 pp -128.02 179.4 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 70.25 111.113 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 1.3 m -110.55 114.73 28.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.13 111.158 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 438' ' ' GLN . . . . . 0.437 ' HB2' HD12 ' B' ' 436' ' ' ILE . 0.0 OUTLIER -178.9 -170.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 54.42 110.927 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.45 125.04 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.101 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 440' ' ' LEU . . . . . 0.44 ' N ' HD22 ' B' ' 440' ' ' LEU . 1.8 mm? -107.16 -35.94 6.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 73.25 110.869 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 441' ' ' ASN . . . . . 0.577 ' HB3' ' HB2' ' B' ' 445' ' ' ALA . 1.3 m-80 -51.85 150.95 3.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 71.33 110.855 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.2 -66.38 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.91 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.66 -54.91 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 55.1 110.855 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.73 -34.56 78.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 73.22 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 445' ' ' ALA . . . . . 0.577 ' HB2' ' HB3' ' B' ' 441' ' ' ASN . . . -50.69 -34.25 25.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.51 111.095 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.31 -59.51 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.897 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.39 -49.15 35.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.905 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -35.23 35.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.21 110.875 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -51.71 -35.49 43.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.952 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.55 -38.08 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 65.3 110.838 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -56.55 8.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.865 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -51.91 -34.9 43.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 65.55 110.911 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.11 -35.75 36.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 64.13 111.082 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -61.07 -35.36 76.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.894 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.84 154.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.25 110.897 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.95 49.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 63.12 111.175 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.73 105.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 73.2 110.911 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -70.58 -172.83 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 72.44 110.929 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -164.39 -178.34 5.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 60.35 110.932 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 152.04 -150.35 22.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 71.53 112.465 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.86 106.34 2.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.346 . . . . 72.41 110.944 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.95 170.62 7.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 72.34 110.896 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -98.37 166.4 21.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.759 . . . . 65.23 112.453 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 134.68 28.44 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.651 2.234 . . . . 74.05 112.346 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -154.03 126.17 7.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 71.54 110.912 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.46 36.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.902 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 61.23 110.914 179.831 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.909 0.385 . . . . 74.34 110.835 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.25 107.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 73.04 110.932 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -54.73 127.65 29.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 50.24 111.097 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -95.02 35.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 74.12 111.114 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 67.8 m -133.18 -177.8 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 73.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.78 -78.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 71.32 110.866 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 9.4 t -76.21 -34.66 59.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 73.11 111.16 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 29.4 t -52.68 -36.02 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 60.3 110.846 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -38.62 62.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 71.15 110.842 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.74 -36.09 65.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.41 . . . . 75.24 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 31.4 t -69.21 -38.68 78.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.85 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.429 HH11 HD22 ' A' ' 383' ' ' LEU . 10.5 ptp180 -74.69 -34.13 62.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 74.54 110.848 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.67 ' HA ' HD12 ' A' ' 355' ' ' ILE . 14.2 mt -71.1 -47.24 59.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.936 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.19 -28.49 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.935 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -76.9 -36.81 56.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.847 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 352' ' ' LEU . 21.7 mt -65.29 -40.3 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 73.14 111.119 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -71.78 -38.33 70.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.44 110.87 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.39 64.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 63.02 111.081 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -54.62 -38.28 66.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 64.34 110.905 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.502 HG22 HD12 ' A' ' 363' ' ' LEU . 33.5 mt -75.14 -31.13 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.14 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -61.09 -52.84 63.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 71.35 110.896 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -72.93 -34.19 66.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 61.12 110.869 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.9 m -71.49 -10.66 60.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.827 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.502 HD12 HG22 ' A' ' 359' ' ' ILE . 31.5 mt -110.83 26.18 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 63.44 110.884 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.33 171.63 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.886 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 0.953 HD11 HG22 ' B' ' 403' ' ' ILE . 5.4 tp -84.51 -38.54 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 75.13 111.116 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -92.72 -32.62 14.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 72.25 110.853 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -106.24 36.05 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 65.54 110.894 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.482 HD13 ' CD1' ' B' ' 406' ' ' PHE . 18.3 tp -53.96 107.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 61.41 110.887 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.98 79.59 1.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.832 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.61 ' HB ' HD11 ' B' ' 412' ' ' ILE . 9.1 m -60.8 -27.49 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.32 111.149 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -51.87 -40.17 60.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.21 110.846 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -75.91 -34.86 59.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.907 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 25.5 t -53.23 -56.11 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 70.04 110.879 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.6 -49.78 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 55.44 111.144 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.72 -34.91 41.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 74.11 110.869 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.412 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.43 -51.68 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.24 111.138 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.517 HD11 HG23 ' B' ' 412' ' ' ILE . 8.8 mt -52.28 -41.36 62.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.873 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.89 -49.1 79.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 44.25 110.832 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -46.3 79.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 34.12 110.917 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.66 HD21 ' HE3' ' A' ' 396' ' ' MET . 0.9 OUTLIER -52.36 -54.26 34.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 52.31 110.912 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.485 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -57.17 -33.99 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 53.33 111.088 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.1 m -71.51 -36.87 71.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.863 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.429 HD22 HH11 ' A' ' 351' ' ' ARG . 60.9 mt -69.09 117.53 10.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 63.21 110.898 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.17 71.22 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.914 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -82.52 144.02 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 44.12 111.135 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -100.0 173.94 6.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 72.12 111.155 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 1.9 ttt -57.55 -39.39 76.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.23 110.915 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -52.0 -59.16 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 70.25 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -63.9 -35.68 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 70.44 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.29 92.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 73.34 111.065 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.67 -36.06 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.959 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -77.57 -34.35 53.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.91 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.415 ' CE1' HD12 ' A' ' 352' ' ' LEU . 79.7 m80 -95.12 35.66 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 70.14 110.866 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.689 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.8 OUTLIER -59.16 -35.32 73.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 63.35 111.176 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.99 -41.88 98.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.863 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.66 ' HE3' HD21 ' A' ' 380' ' ' LEU . 36.7 ttp -55.25 -37.32 67.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.856 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 394' ' ' THR . 4.4 mt -69.95 -44.1 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 64.34 111.149 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 95.6 m -54.09 -35.44 62.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.25 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.2 m -71.85 -38.56 70.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 64.32 111.118 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 397' ' ' ILE . 31.8 mt -57.92 -36.18 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 73.43 110.936 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.49 -28.82 56.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 75.05 110.892 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -75.13 -35.15 61.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.01 110.897 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 0.975 HG22 HD11 ' B' ' 365' ' ' ILE . 35.6 pt -73.71 -2.03 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 75.44 111.142 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -33.85 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 64.01 110.912 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 405' ' ' ARG . . . . . 0.444 HH21 HD23 ' B' ' 368' ' ' LEU . 0.0 OUTLIER -120.11 -19.53 7.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.893 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.499 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -40.1 120.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 75.04 110.884 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.4 135.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.878 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 408' ' ' VAL . 7.5 p -63.43 126.33 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 43.23 111.148 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 1.5 m -61.57 170.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.848 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -72.83 -33.88 66.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 74.23 110.906 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.2 p -53.02 -41.03 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 73.11 111.143 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.653 HD11 ' HB ' ' B' ' 370' ' ' VAL . 61.1 mt -73.82 -47.41 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.31 111.113 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 34.3 mtm -58.56 -34.66 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 65.12 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -42.5 58.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.903 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -68.35 -35.57 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.897 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 84.0 p -58.39 -49.66 76.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 71.33 110.923 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 95.0 m -53.67 -44.33 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 73.02 111.149 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.2 tpt -51.3 -49.31 61.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 71.21 110.893 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.462 HD22 HD12 ' B' ' 380' ' ' LEU . 56.1 mt -73.41 -38.48 65.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 71.2 110.951 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -53.76 -60.03 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.923 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -59.63 -34.73 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.838 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -53.22 -53.61 48.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.905 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.594 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 84.6 m-85 -73.88 -37.16 64.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 74.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 424' ' ' LYS . . . . . 0.521 ' HG2' HD23 ' A' ' 428' ' ' LEU . 1.2 ttpm? -57.73 -44.0 85.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 63.42 110.898 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.16 -37.02 76.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 44.24 110.923 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 16.4 mtm -78.59 -34.82 46.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.872 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.516 ' HE2' HG22 ' B' ' 394' ' ' THR . 3.8 m-85 -71.19 -36.08 71.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.863 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.796 HD22 ' HB3' ' A' ' 440' ' ' LEU . 3.9 pp -87.62 -35.39 18.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.926 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 97.0 t 58.54 84.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 70.12 111.141 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' GLY . . . . . 0.4 ' N ' HD12 ' A' ' 428' ' ' LEU . . . -155.05 -113.32 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 25.3 112.48 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.68 113.72 2.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 75.24 110.836 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 159.85 61.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 64.41 112.476 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -66.16 -39.24 89.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 72.32 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.59 90.3 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.869 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 21.6 m -147.93 151.12 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 45.03 111.132 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.0 pp -138.72 138.19 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 70.31 111.139 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 93.5 m 52.38 86.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.3 111.121 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.29 122.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.903 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 21.8 t -80.2 115.56 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 34.11 111.146 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.796 ' HB3' HD22 ' A' ' 428' ' ' LEU . 4.3 mm? -111.93 -35.9 5.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 61.0 110.937 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.87 164.52 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.897 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.07 -49.16 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 73.11 110.911 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.53 -46.12 34.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 75.3 110.898 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.34 -34.74 63.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 75.3 110.892 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -53.34 -57.04 11.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 72.32 111.116 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -56.39 -40.36 74.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 72.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -65.86 -35.78 81.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 64.54 110.916 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -35.72 67.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 53.15 110.93 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 449' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 453' ' ' ALA . 0.1 OUTLIER -51.88 -35.87 46.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 74.13 110.878 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.15 -50.0 57.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.818 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.87 -59.31 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 75.33 110.873 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.79 -36.32 47.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.84 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 449' ' ' GLN . . . -52.35 -41.5 63.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 74.2 111.064 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -67.5 -36.83 81.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.14 110.91 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.91 165.56 17.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.906 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.4 t -178.49 139.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 60.34 111.113 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -168.71 61.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 72.51 110.914 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.89 -55.2 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 75.11 110.845 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.98 172.4 7.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 44.03 110.864 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -103.64 -116.15 4.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 70.4 112.463 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt 53.08 68.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 74.2 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.15 -44.24 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 65.12 110.931 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 109.19 173.03 21.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 54.43 112.459 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 96.23 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 72.11 112.301 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 14.9 t30 61.27 89.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 63.41 110.889 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.31 -51.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.917 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 65.2 110.922 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.896 0.379 . . . . 74.43 110.831 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.36 107.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.921 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -59.1 110.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 50.42 111.118 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -109.89 66.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 75.44 111.095 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 65.2 m -133.56 -75.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 61.04 110.894 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.872 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 7.7 t -55.38 -36.94 66.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 65.14 111.081 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 30.1 t -51.61 -35.81 43.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 65.44 110.834 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -38.49 66.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.02 110.882 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.29 -38.27 65.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 75.42 110.848 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 32.3 t -66.82 -39.24 87.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 65.45 110.847 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -74.36 -34.49 63.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 64.45 110.841 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.723 ' HA ' HD12 ' B' ' 355' ' ' ILE . 20.4 mt -71.44 -47.79 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 63.21 110.897 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -57.98 -29.72 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 64.41 110.919 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -74.71 -37.54 62.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 71.42 110.833 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' B' ' 352' ' ' LEU . 14.2 mt -65.2 -39.15 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.43 111.111 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -70.82 -39.7 72.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.23 110.879 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.09 -41.48 67.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 75.04 111.056 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.25 -40.72 71.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.874 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.433 HG22 HD12 ' B' ' 363' ' ' LEU . 46.7 mt -73.54 -34.64 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 62.43 111.104 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -58.24 -52.16 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.886 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -74.04 -31.4 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 75.2 110.878 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 40.0 m -73.55 -13.64 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.847 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.433 HD12 HG22 ' B' ' 359' ' ' ILE . 40.0 mt -107.65 26.62 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 45.15 110.927 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 170.64 7.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.915 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 0.975 HD11 HG22 ' A' ' 403' ' ' ILE . 5.0 tp -84.5 -38.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.33 111.155 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -92.03 -33.65 14.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 64.14 110.893 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -106.11 36.47 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 65.1 110.898 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.444 HD23 HH21 ' A' ' 405' ' ' ARG . 18.2 tp -53.79 107.29 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.949 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.12 80.06 1.89 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.85 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.653 ' HB ' HD11 ' A' ' 412' ' ' ILE . 12.0 m -60.16 -27.17 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 64.02 111.175 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -51.64 -39.69 58.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.886 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -75.94 -35.2 59.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 64.21 110.823 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.47 -56.59 15.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 61.02 110.839 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.407 HD12 ' O ' ' B' ' 370' ' ' VAL . 3.2 mt -53.51 -49.13 56.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 64.33 111.124 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.65 -35.15 41.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 75.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.595 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.26 -50.98 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 73.15 111.106 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 377' ' ' LEU . . . . . 0.451 HD11 HG23 ' A' ' 412' ' ' ILE . 10.3 mt -52.1 -38.99 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 72.3 110.894 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.85 -47.53 84.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 54.03 110.84 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -47.38 78.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 62.51 110.884 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.594 HD11 ' HZ ' ' A' ' 423' ' ' PHE . 1.1 tm? -52.45 -54.71 28.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 72.31 110.949 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 381' ' ' ALA . . . . . 0.435 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -56.29 -34.62 66.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.153 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.1 m -72.47 -36.08 68.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 63.33 110.839 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.03 118.03 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 71.02 110.893 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.66 71.38 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 65.43 110.911 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -82.5 144.14 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 70.11 111.11 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -99.58 173.91 6.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 45.24 111.128 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 1.8 ttt -58.03 -39.71 79.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.915 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -51.97 -59.2 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.917 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -63.46 -35.7 81.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.895 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.36 -42.98 92.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 62.03 111.106 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -51.66 -35.66 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 71.43 110.91 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -77.62 -34.91 53.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 54.25 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -95.17 35.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 74.34 110.878 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.688 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.8 OUTLIER -59.16 -35.28 73.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 54.13 111.143 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.81 -41.37 97.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.916 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 396' ' ' MET . . . . . 0.434 ' HB3' ' HE2' ' B' ' 396' ' ' MET . 34.7 ttp -55.37 -37.81 68.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 75.43 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' B' ' 394' ' ' THR . 4.3 mt -69.97 -42.58 79.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 71.44 111.16 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 95.9 m -54.12 -35.76 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 55.43 111.144 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 90.5 m -72.37 -40.27 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 71.54 111.167 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' B' ' 397' ' ' ILE . 46.3 mt -54.62 -37.69 65.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.927 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.03 -28.92 57.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 60.31 110.909 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -74.63 -35.93 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 72.14 110.881 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.953 HG22 HD11 ' A' ' 365' ' ' ILE . 34.8 pt -73.42 -1.69 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 52.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -34.19 45.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 71.35 110.875 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.07 -20.15 6.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 65.42 110.836 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.5 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.08 120.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 70.24 110.857 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -176.61 134.09 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 62.2 110.895 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.27 126.85 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 71.22 111.103 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 1.9 m -62.49 171.15 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.883 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -73.14 -33.2 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.919 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.83 -42.18 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.1 111.108 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.61 HD11 ' HB ' ' A' ' 370' ' ' VAL . 40.9 mt -73.75 -45.63 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.34 111.092 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 34.0 mtm -59.11 -34.4 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.879 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -42.29 54.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.868 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -68.11 -35.21 77.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.918 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.9 p -58.59 -50.77 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 61.13 110.825 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 94.6 m -52.73 -44.36 66.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 52.43 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -51.49 -48.6 62.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.877 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 381' ' ' ALA . 54.5 mt -74.29 -36.57 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 43.52 110.857 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -56.94 -58.0 10.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 75.05 110.913 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -62.32 -35.33 78.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.53 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -53.2 -53.31 52.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.912 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.523 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 21.8 m-85 -75.38 -35.85 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 54.34 110.89 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 424' ' ' LYS . . . . . 0.494 ' HG2' HD23 ' B' ' 428' ' ' LEU . 1.2 ttpm? -57.48 -43.85 84.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.856 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.39 -35.79 74.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 62.42 110.874 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 16.4 mtm -77.85 -35.2 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.904 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 427' ' ' PHE . . . . . 0.526 ' HE2' HG22 ' A' ' 394' ' ' THR . 3.6 m-85 -71.29 -35.95 71.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 71.21 110.916 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' B' ' 440' ' ' LEU . 3.9 pp -87.47 -34.99 18.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 72.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 98.6 t 58.13 84.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.148 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -155.38 -113.54 0.46 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.729 -0.748 . . . . 42.01 112.475 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.67 113.57 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 62.22 110.867 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 159.82 61.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 64.44 112.482 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -65.98 -39.31 90.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 74.12 110.864 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.53 90.37 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 63.33 110.867 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 21.8 m -147.85 151.0 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 65.41 111.113 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 2.0 pp -138.6 138.2 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 70.25 111.147 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 93.8 m 52.2 86.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.136 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.67 121.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 54.42 110.914 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 21.8 t -79.97 115.3 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 74.11 111.141 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 440' ' ' LEU . . . . . 0.803 ' HB3' HD22 ' B' ' 428' ' ' LEU . 4.3 mm? -111.66 -35.91 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 73.25 110.926 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.9 164.03 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.88 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.0 -48.14 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.933 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.42 -46.42 27.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 55.1 110.858 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -34.49 63.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.495 . . . . 73.22 110.952 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -53.4 -56.94 12.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.51 111.129 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -56.88 -40.46 76.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -65.63 -35.61 81.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 75.01 110.905 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -35.79 66.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 73.21 110.872 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 449' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' B' ' 453' ' ' ALA . 0.1 OUTLIER -51.67 -35.48 42.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.916 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -52.34 43.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 65.3 110.839 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.72 -57.59 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.909 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -36.42 47.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 65.55 110.897 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 453' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' B' ' 449' ' ' GLN . . . -53.83 -40.82 66.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 64.13 111.078 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -67.26 -37.05 82.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.864 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.67 165.49 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 72.25 110.927 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 2.5 t -178.51 139.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 63.12 111.207 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -168.77 61.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.908 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.0 -54.87 3.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.9 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.23 172.36 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 60.35 110.933 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -103.69 -116.23 4.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 71.53 112.463 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt 53.27 68.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 72.41 110.889 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.25 -44.41 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 72.34 110.86 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 109.3 173.01 20.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.689 -0.767 . . . . 65.23 112.476 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 96.35 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 74.05 112.33 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 15.0 t30 61.22 89.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.54 110.894 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 -51.11 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.888 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 61.23 110.882 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.928 0.394 . . . . 74.34 110.837 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -93.6 -174.84 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 73.04 110.871 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -173.0 -47.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 50.24 111.09 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . 63.63 -179.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 74.12 111.097 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.81 -57.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 73.0 110.85 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.92 179.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 71.32 110.884 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.22 168.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 73.11 111.163 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.5 p -69.45 -56.17 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 60.3 110.891 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.7 tpt -54.09 -41.22 68.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 71.15 110.87 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.04 -35.42 66.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.865 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 48.4 t -68.91 -39.21 79.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.854 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.77 -33.52 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.846 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.736 ' HA ' HD12 ' A' ' 355' ' ' ILE . 12.2 mt -71.37 -47.33 56.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.52 110.914 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.82 -27.64 60.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.959 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -76.77 -37.87 55.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.818 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 352' ' ' LEU . 30.9 mt -61.1 -42.98 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 73.14 111.128 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -72.11 -35.97 69.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.89 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.76 -48.31 64.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 63.02 111.109 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.06 -46.71 75.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 64.34 110.894 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.57 HG22 HD12 ' A' ' 363' ' ' LEU . 43.2 mt -62.02 -35.04 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.136 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -63.35 -46.1 88.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.889 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -75.7 -31.32 59.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 61.12 110.907 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 15.8 p -80.43 -1.11 40.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 73.51 110.883 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.57 HD12 HG22 ' A' ' 359' ' ' ILE . 31.0 mt -120.02 26.51 9.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 63.44 110.903 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -71.56 170.55 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.13 110.905 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 0.987 HD11 HG22 ' B' ' 403' ' ' ILE . 6.1 tp -83.65 -37.5 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 75.13 111.139 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -93.65 -29.87 15.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 72.25 110.858 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -110.9 36.7 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 65.54 110.922 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.487 HD13 ' CD1' ' B' ' 406' ' ' PHE . 20.5 tp -52.98 107.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 61.41 110.927 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.85 80.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.857 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' B' ' 412' ' ' ILE . 9.7 m -61.24 -27.1 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.121 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -51.82 -39.37 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.21 110.888 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -75.73 -35.27 60.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.925 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.472 ' SG ' HG23 ' A' ' 359' ' ' ILE . 12.2 t -53.89 -57.18 11.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 70.04 110.847 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.44 -50.44 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 55.44 111.142 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.63 -34.06 36.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.476 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.84 -51.26 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.24 111.109 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.46 HD11 HG23 ' B' ' 412' ' ' ILE . 11.4 mt -52.09 -40.19 60.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.929 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -49.06 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 44.25 110.884 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -46.02 85.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 34.12 110.901 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' B' ' 423' ' ' PHE . 1.2 tm? -52.32 -54.21 34.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 52.31 110.91 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.506 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -58.27 -34.49 70.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 53.33 111.11 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -36.44 70.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.853 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.06 117.15 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 63.21 110.909 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -79.03 64.32 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.929 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.89 141.24 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 44.12 111.135 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.0 t -100.96 171.32 7.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 72.12 111.153 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -38.14 64.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.879 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -52.21 -59.07 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 70.25 110.886 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -66.51 -35.87 81.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 70.44 110.918 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.22 82.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.34 111.144 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 391' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 394' ' ' THR . 1.3 mm100 -51.85 -37.65 52.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 75.25 110.89 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 2.4 mmpp? -75.22 -35.2 61.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -95.33 35.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 70.14 110.83 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.73 ' HA ' HD12 ' A' ' 397' ' ' ILE . 1.4 p -59.03 -36.11 74.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 63.35 111.159 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.08 -45.39 93.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 65.31 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.422 ' HE1' HD21 ' A' ' 380' ' ' LEU . 1.4 tmm? -55.38 -37.21 67.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.872 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.796 ' HA ' HD12 ' A' ' 400' ' ' LEU . 5.8 mt -70.07 -39.11 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 64.34 111.13 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 9.1 m -59.43 -40.14 85.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 71.25 111.125 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.0 m -65.39 -35.61 81.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 64.32 111.121 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' ' 397' ' ' ILE . 29.9 mt -58.7 -35.88 73.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.902 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -76.2 -28.65 57.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 75.05 110.898 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -75.2 -35.15 61.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 71.01 110.922 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.048 HG22 HD11 ' B' ' 365' ' ' ILE . 35.1 pt -73.93 -2.02 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.44 111.144 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -79.47 -33.5 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 64.01 110.896 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 405' ' ' ARG . . . . . 0.401 HH21 HD23 ' B' ' 368' ' ' LEU . 0.0 OUTLIER -120.62 -18.87 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 75.44 110.84 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.501 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -40.64 121.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 75.04 110.871 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -177.56 134.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.914 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.19 131.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 43.23 111.092 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 32.1 t -67.31 168.06 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.889 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -70.18 -34.49 73.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 411' ' ' VAL . . . . . 0.412 HG13 HG13 ' A' ' 412' ' ' ILE . 5.3 p -53.44 -40.47 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.11 111.135 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.636 HD11 ' HB ' ' B' ' 370' ' ' VAL . 94.9 mt -73.71 -47.04 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 74.31 111.167 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 34.1 mtm -59.4 -34.53 72.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 65.12 110.908 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.69 -44.38 56.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.875 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -67.4 -37.7 83.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.852 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 86.1 p -56.39 -47.59 78.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 71.33 110.797 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 417' ' ' THR . . . . . 0.509 HG22 ' ND2' ' A' ' 421' ' ' ASN . 95.4 m -55.36 -46.52 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 73.02 111.158 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -49.06 -47.92 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 71.21 110.903 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' B' ' 381' ' ' ALA . 45.7 mt -75.57 -34.69 60.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.884 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.618 ' CE1' HG11 ' A' ' 435' ' ' VAL . 18.9 t80 -56.34 -63.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.911 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.509 ' ND2' HG22 ' A' ' 417' ' ' THR . 10.2 p30 -63.9 -32.09 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.898 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -52.57 -53.64 43.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.91 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.587 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 19.9 m-85 -75.67 -35.99 60.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 74.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 424' ' ' LYS . . . . . 0.639 ' HD2' HD22 ' A' ' 444' ' ' LEU . 71.3 tttt -57.91 -39.36 77.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 63.42 110.889 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -61.45 -34.88 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 44.24 110.926 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 12.4 mtm -75.56 -35.35 60.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.852 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' B' ' 397' ' ' ILE . 41.1 m-85 -71.53 -36.98 71.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 65.35 110.851 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.547 ' O ' HD22 ' A' ' 440' ' ' LEU . 4.5 pp -84.66 -34.75 22.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.904 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.527 ' N ' HD12 ' A' ' 428' ' ' LEU . 98.0 t 57.69 90.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 70.12 111.149 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 169.67 -125.64 1.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 25.3 112.497 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.68 178.24 5.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 75.24 110.88 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 136.84 123.87 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.759 -0.734 . . . . 64.41 112.505 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -87.59 -62.18 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 72.32 110.858 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 80.2 p -111.14 -169.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 75.02 110.872 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.618 HG11 ' CE1' ' A' ' 420' ' ' TYR . 6.9 m -105.4 72.41 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 45.03 111.145 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 437' ' ' THR . 10.8 mt -149.11 44.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 70.31 111.14 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 436' ' ' ILE . 0.0 OUTLIER -178.55 123.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 73.3 111.114 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -75.86 110.52 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.887 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 21.7 t -135.95 112.81 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 34.11 111.148 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.547 HD22 ' O ' ' A' ' 428' ' ' LEU . 0.5 OUTLIER 51.85 35.92 16.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 61.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 445' ' ' ALA . 24.5 m-20 -121.79 124.79 45.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 64.43 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.92 -55.84 2.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 73.11 110.882 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 1.2 t -63.56 -54.7 31.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 75.3 110.855 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' LEU . . . . . 0.639 HD22 ' HD2' ' A' ' 424' ' ' LYS . 1.3 mp -67.47 -35.97 80.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 75.3 110.878 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 441' ' ' ASN . . . -51.7 -38.6 55.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 72.32 111.119 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -55.42 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 72.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -54.62 29.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 64.54 110.891 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -52.15 -40.59 61.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 53.15 110.927 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -55.86 21.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.92 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 2.1 t60 -58.75 -50.71 72.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 75.51 110.814 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.51 -58.58 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.889 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -36.25 74.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.903 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 450' ' ' HIS . . . -52.05 -36.47 50.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 74.2 111.116 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -95.65 -36.3 11.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.915 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -170.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.875 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 1.2 m 64.32 45.0 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 60.34 111.111 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -171.96 84.25 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 72.51 110.884 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -177.74 -36.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 75.11 110.911 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.0 -63.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 44.03 110.924 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 104.54 -124.62 8.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 70.4 112.484 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.82 -73.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 74.2 110.872 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -152.82 -48.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 65.12 110.914 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 155.86 -170.54 33.69 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 54.43 112.492 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -173.06 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.713 2.275 . . . . 72.11 112.368 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -136.47 -43.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 63.41 110.889 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 138.91 41.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.889 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 65.2 110.905 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.888 0.375 . . . . 74.43 110.913 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -93.53 -174.85 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.912 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -172.99 -47.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 50.42 111.129 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . 63.59 -179.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.092 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.7 -58.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 61.04 110.829 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.08 179.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 74.35 110.944 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.74 169.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 65.14 111.139 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 11.6 p -70.27 -57.7 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 65.44 110.905 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.9 tpt -53.17 -39.86 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.02 110.826 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.1 -37.05 66.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 75.42 110.897 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.4 t -67.87 -39.17 83.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 65.45 110.822 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -74.52 -34.18 62.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 64.45 110.855 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.809 ' HA ' HD12 ' B' ' 355' ' ' ILE . 12.1 mt -71.39 -47.73 54.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 63.21 110.903 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -57.22 -29.17 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 64.41 110.908 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -74.56 -38.62 62.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.42 110.841 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' B' ' 352' ' ' LEU . 17.7 mt -61.11 -42.74 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.43 111.107 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -70.56 -36.12 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.89 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.98 65.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 75.04 111.116 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.25 -47.95 74.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.881 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.567 HG22 HD12 ' B' ' 363' ' ' LEU . 48.3 mt -61.28 -35.29 65.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 62.43 111.109 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -62.67 -46.52 87.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.887 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -75.84 -31.37 59.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.855 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 13.1 p -79.51 -2.21 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.822 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.567 HD12 HG22 ' B' ' 359' ' ' ILE . 34.4 mt -119.09 26.47 9.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 45.15 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.56 170.66 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.869 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.048 HD11 HG22 ' A' ' 403' ' ' ILE . 5.5 tp -84.25 -36.92 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.33 111.142 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -93.79 -31.02 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 64.14 110.874 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -110.14 36.82 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 65.1 110.876 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.433 HD13 ' CD2' ' A' ' 406' ' ' PHE . 20.5 tp -52.66 107.43 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.926 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.07 81.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.889 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' A' ' 412' ' ' ILE . 10.9 m -61.98 -26.55 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 64.02 111.162 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -51.79 -39.21 58.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 73.44 110.898 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -75.88 -35.35 59.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 64.21 110.865 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.474 ' SG ' HG23 ' B' ' 359' ' ' ILE . 14.5 t -53.7 -57.05 12.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 61.02 110.872 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.53 -49.58 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 64.33 111.158 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.48 -35.19 38.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.608 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.3 -50.62 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 73.15 111.098 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 377' ' ' LEU . . . . . 0.426 HD11 HG23 ' A' ' 412' ' ' ILE . 11.5 mt -52.16 -40.82 61.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 72.3 110.917 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -49.18 78.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 54.03 110.857 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -45.64 85.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 62.51 110.881 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.587 HD11 ' CZ ' ' A' ' 423' ' ' PHE . 1.4 tm? -52.64 -54.38 34.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.932 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 381' ' ' ALA . . . . . 0.488 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -58.02 -34.9 70.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.1 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -37.21 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 63.33 110.903 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 49.1 mt -65.81 118.21 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 71.02 110.918 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -80.48 63.57 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 65.43 110.908 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.9 p -76.44 140.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 70.11 111.109 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.4 t -100.36 171.67 7.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 45.24 111.118 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -38.03 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.871 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -52.17 -58.87 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -66.54 -35.96 81.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 74.12 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.7 -46.47 81.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 62.03 111.077 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 391' ' ' GLN . . . . . 0.504 ' O ' HG23 ' B' ' 394' ' ' THR . 1.3 mm100 -51.97 -36.15 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 71.43 110.959 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 2.5 mmpp? -75.44 -35.54 60.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 54.25 110.845 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -95.22 35.61 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.838 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.732 ' HA ' HD12 ' B' ' 397' ' ' ILE . 1.4 p -57.7 -35.65 70.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 54.13 111.145 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.76 -44.35 97.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.872 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 396' ' ' MET . . . . . 0.463 ' HE1' HD21 ' B' ' 380' ' ' LEU . 1.5 tmm? -55.38 -37.66 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.88 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.808 ' HA ' HD12 ' B' ' 400' ' ' LEU . 5.6 mt -68.62 -42.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 71.44 111.153 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 8.5 m -58.65 -39.31 80.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 55.43 111.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 96.2 m -65.23 -34.93 79.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 71.54 111.11 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.808 HD12 ' HA ' ' B' ' 397' ' ' ILE . 18.8 mt -61.91 -35.26 77.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.922 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -75.9 -28.76 58.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 60.31 110.895 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -74.96 -35.95 62.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.88 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.987 HG22 HD11 ' A' ' 365' ' ' ILE . 34.0 pt -73.37 -1.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 52.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -78.82 -34.07 45.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 71.35 110.888 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -19.85 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 65.42 110.898 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.503 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.51 120.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 70.24 110.931 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -177.15 133.12 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 62.2 110.909 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.6 p -58.98 133.71 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 71.22 111.151 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.5 t -69.41 169.27 12.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 64.22 110.871 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -70.84 -34.57 71.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.891 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 411' ' ' VAL . . . . . 0.435 HG13 HG13 ' B' ' 412' ' ' ILE . 5.8 p -53.21 -40.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.154 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' A' ' 370' ' ' VAL . 89.3 mt -73.88 -46.27 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 71.34 111.12 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 33.8 mtm -59.69 -34.3 72.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 75.13 110.877 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.44 -43.37 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.922 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -67.97 -34.74 77.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.919 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.2 p -58.65 -50.23 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 61.13 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 42.8 m -53.52 -44.59 69.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 52.43 111.14 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -50.55 -49.09 56.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 381' ' ' ALA . 49.3 mt -74.39 -37.84 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 43.52 110.926 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -56.97 -57.23 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.903 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -63.89 -33.96 76.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 72.53 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -55.47 -53.83 51.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 71.45 110.907 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 65.8 m-85 -68.49 -44.23 75.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 54.34 110.875 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 424' ' ' LYS . . . . . 0.618 ' HD2' HD22 ' B' ' 444' ' ' LEU . 70.2 tttt -53.68 -40.79 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 71.03 110.948 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -59.65 -36.05 75.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 62.42 110.928 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 12.3 mtm -77.04 -34.96 57.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 74.43 110.879 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 427' ' ' PHE . . . . . 0.552 ' HE2' HD13 ' A' ' 397' ' ' ILE . 35.8 m-85 -72.09 -36.54 69.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 71.21 110.862 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.515 ' O ' HD22 ' B' ' 440' ' ' LEU . 4.4 pp -84.49 -35.04 23.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 72.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.514 ' N ' HD12 ' B' ' 428' ' ' LEU . 98.4 t 57.14 88.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 74.44 111.068 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 170.76 -124.84 1.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.719 . . . . 42.01 112.505 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.6 179.24 4.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 62.22 110.877 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 134.92 120.96 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 64.44 112.481 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -82.65 -62.77 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.31 . . . . 74.12 110.857 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 77.6 p -128.32 -173.22 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 63.33 110.835 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.761 HG23 HG13 ' B' ' 436' ' ' ILE . 17.3 m -66.93 -176.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 65.41 111.107 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.761 HG13 HG23 ' B' ' 435' ' ' VAL . 13.2 mt 68.67 57.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 70.25 111.12 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.491 HG23 ' O ' ' B' ' 436' ' ' ILE . 0.0 OUTLIER -178.23 87.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.13 111.141 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -62.87 108.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 54.42 110.944 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 439' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 437' ' ' THR . 21.3 t -140.35 111.6 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 74.11 111.154 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 440' ' ' LEU . . . . . 0.515 HD22 ' O ' ' B' ' 428' ' ' LEU . 0.5 OUTLIER 51.65 36.64 17.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 73.25 110.885 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -121.12 124.43 44.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 71.33 110.884 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.02 -56.4 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 74.34 110.927 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 1.2 t -63.24 -55.0 28.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 55.1 110.807 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 444' ' ' LEU . . . . . 0.618 HD22 ' HD2' ' B' ' 424' ' ' LYS . 1.4 mp -66.93 -36.01 81.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.915 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.72 -38.51 55.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 72.51 111.108 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -55.63 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 74.42 110.911 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -54.51 29.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 75.01 110.892 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -52.22 -40.48 61.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 73.21 110.884 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -56.09 19.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.881 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 450' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' B' ' 453' ' ' ALA . 2.1 t60 -58.51 -51.18 70.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 65.3 110.846 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.15 -58.33 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.881 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -36.15 75.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 65.55 110.855 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 453' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' B' ' 450' ' ' HIS . . . -52.16 -36.26 51.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 64.13 111.096 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -95.88 -36.27 11.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.877 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -170.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 72.25 110.887 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 1.2 m 64.36 44.83 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 63.12 111.135 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -171.9 84.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.902 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -177.91 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.844 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.11 -63.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 60.35 110.924 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 104.65 -124.67 8.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 71.53 112.459 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.81 -73.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 72.41 110.921 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -152.9 -49.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.919 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 155.98 -170.45 33.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 65.23 112.512 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -172.8 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 74.05 112.369 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -136.52 -43.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.884 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 139.73 37.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 72.33 110.887 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 61.23 110.895 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.035 0 CA-C-O 120.91 0.386 . . . . 74.34 110.846 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -121.76 176.33 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.04 110.864 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -171.38 168.83 6.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 50.24 111.1 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -172.88 143.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 74.12 111.066 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 1.1 p -174.04 158.77 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 73.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.83 170.12 2.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 71.32 110.844 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.75 165.39 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 73.11 111.137 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -59.91 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 60.3 110.862 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.6 tpt -53.23 -38.6 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 71.15 110.862 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -73.77 -36.08 65.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.868 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 4.2 m -68.08 -36.32 79.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.867 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.479 HH11 HD22 ' A' ' 383' ' ' LEU . 8.2 ptp180 -77.43 -33.07 54.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 74.54 110.896 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 352' ' ' LEU . 20.8 mt -74.83 -40.97 60.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.907 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -62.85 -35.35 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.84 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -77.18 -34.87 56.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.864 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 25.3 mt -62.38 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.143 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -71.99 -39.67 69.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.863 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.76 -42.87 81.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 63.02 111.075 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.78 -36.13 64.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 64.34 110.904 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.478 HG22 HD12 ' A' ' 363' ' ' LEU . 35.1 mt -75.0 -31.66 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 73.32 111.165 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -52.91 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.903 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -72.8 -31.17 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 61.12 110.901 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 16.7 m -75.23 -6.28 48.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 73.51 110.914 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.478 HD12 HG22 ' A' ' 359' ' ' ILE . 43.1 mt -117.44 25.98 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 63.44 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 169.79 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.909 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 0.995 HD11 HG22 ' B' ' 403' ' ' ILE . 5.9 tp -84.51 -37.64 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 75.13 111.116 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -93.05 -31.79 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 72.25 110.854 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -110.53 36.75 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 65.54 110.894 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.649 HD13 ' CE1' ' B' ' 406' ' ' PHE . 19.4 tp -53.13 106.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 61.41 110.919 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -126.51 70.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.15 110.821 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.666 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.7 m -54.34 -28.76 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.141 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -51.59 -43.81 62.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.87 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -76.07 -31.67 58.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.861 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.433 ' SG ' HG23 ' A' ' 359' ' ' ILE . 48.6 t -52.99 -45.9 68.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 70.04 110.904 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -66.11 -45.73 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 55.44 111.111 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.33 -33.49 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.906 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.79 -53.87 7.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 74.24 111.054 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.98 -35.66 47.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 72.3 110.893 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.63 -49.0 76.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 44.25 110.858 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -58.73 -45.99 88.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 34.12 110.891 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.568 HD21 ' HE3' ' A' ' 396' ' ' MET . 1.2 tm? -52.44 -49.56 64.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 52.31 110.9 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -60.27 -34.15 73.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 53.33 111.121 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.91 -36.78 67.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.816 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.479 HD22 HH11 ' A' ' 351' ' ' ARG . 62.7 mt -67.4 119.96 13.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 63.21 110.916 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -77.6 60.38 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 74.02 110.92 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.79 137.05 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 44.12 111.12 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.1 t -102.65 170.14 8.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 72.12 111.166 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -35.97 47.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.911 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -59.29 4.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 70.25 110.916 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -35.82 82.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 70.44 110.873 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.3 -48.24 82.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.34 111.11 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 391' ' ' GLN . . . . . 0.59 ' O ' HG23 ' A' ' 394' ' ' THR . 4.0 mt-30 -51.78 -35.9 45.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 75.25 110.919 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -81.73 -35.11 30.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 71.12 110.903 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -95.31 35.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 70.14 110.833 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 391' ' ' GLN . 17.1 p -59.44 -35.53 74.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 63.35 111.193 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.6 -47.5 76.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 65.31 110.913 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.568 ' HE3' HD21 ' A' ' 380' ' ' LEU . 47.0 ttp -55.36 -37.62 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.928 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.737 ' HA ' HD12 ' A' ' 400' ' ' LEU . 53.6 mt -68.74 -43.18 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 64.34 111.095 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 41.0 m -54.36 -36.73 64.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.25 111.145 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -70.5 -40.75 73.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 64.32 111.175 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 397' ' ' ILE . 10.9 mt -53.68 -36.82 62.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.918 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -28.91 57.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 75.05 110.896 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -75.66 -35.62 60.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.01 110.902 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.023 HG22 HD11 ' B' ' 365' ' ' ILE . 39.4 pt -73.66 -0.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.134 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -33.12 37.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.885 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -20.44 6.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.884 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.67 120.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.04 110.878 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -179.68 138.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.489 HG13 ' HE2' ' B' ' 406' ' ' PHE . 6.7 m -63.84 136.26 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 43.23 111.121 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 9.8 t -70.25 173.64 6.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.826 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -35.46 74.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 74.23 110.888 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 10.6 p -61.43 -29.6 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.11 111.112 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.77 HD11 ' HB ' ' B' ' 370' ' ' VAL . 78.2 mt -74.15 -51.47 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.149 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.1 ptp -66.28 -45.49 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 65.12 110.898 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.5 -33.33 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 73.25 110.895 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -76.91 -40.72 46.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.887 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' SER . . . . . 0.445 ' HB2' HD11 ' B' ' 403' ' ' ILE . 54.5 p -56.5 -49.13 75.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.851 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 84.8 m -52.6 -34.24 49.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 73.02 111.165 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -48.95 79.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.859 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 51.0 mt -74.56 -36.38 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 71.2 110.91 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -66.13 -37.82 86.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.928 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -73.6 -34.97 65.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 73.14 110.878 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -70.09 -39.28 75.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.854 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.412 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 16.4 m-85 -75.38 -51.87 12.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -53.89 -32.28 52.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 63.42 110.924 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -68.07 -35.53 78.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 44.24 110.886 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 26.8 mtm -76.02 -34.62 59.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.937 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.474 ' CZ ' HG22 ' B' ' 394' ' ' THR . 12.9 m-85 -71.19 -37.1 72.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 65.35 110.821 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.4 pp -85.55 -34.78 21.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.949 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.52 ' N ' HD12 ' A' ' 428' ' ' LEU . 99.5 t 58.17 89.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 70.12 111.115 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -130.66 -84.43 0.32 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.741 -0.742 . . . . 25.3 112.537 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.76 143.84 23.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 75.24 110.913 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 91.33 169.33 41.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.8 -0.714 . . . . 64.41 112.503 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.86 -44.4 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 72.32 110.866 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 1.4 t -149.04 141.69 24.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 75.02 110.854 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 33.0 m -147.17 -177.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 45.03 111.089 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.463 HD12 ' OG1' ' A' ' 437' ' ' THR . 1.3 pp -138.12 153.93 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 70.31 111.157 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.463 ' OG1' HD12 ' A' ' 436' ' ' ILE . 1.6 m 53.73 82.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 73.3 111.177 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.25 153.2 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.911 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.601 HG21 ' NH2' ' A' ' 448' ' ' ARG . 6.6 m -139.33 119.82 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 34.11 111.122 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.58 133.6 8.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 61.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ASN . . . . . 0.45 ' ND2' HD12 ' A' ' 444' ' ' LEU . 1.0 OUTLIER -177.54 177.38 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 64.43 110.914 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -116.02 -67.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.869 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 33.1 p -62.22 -53.3 57.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 75.3 110.817 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' LEU . . . . . 0.45 HD12 ' ND2' ' A' ' 441' ' ' ASN . 58.7 mt -66.51 -35.95 81.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 75.3 110.936 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.9 44.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 72.32 111.071 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.34 -60.73 3.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 72.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -68.29 -36.22 79.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 64.54 110.937 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.601 ' NH2' HG21 ' A' ' 439' ' ' VAL . 2.9 ttt180 -52.27 -61.59 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 53.15 110.903 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -52.2 -36.17 51.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.895 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -59.04 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 75.51 110.897 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -67.51 -50.0 60.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -36.26 50.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.08 -35.89 49.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.2 111.08 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -59.76 -44.53 93.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 74.14 110.874 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt 54.66 90.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.918 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.1 t -138.83 149.04 44.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 60.34 111.146 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.29 97.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 72.51 110.897 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.08 179.95 4.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 75.11 110.905 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -109.76 -73.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 44.03 110.894 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 59.2 89.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 70.4 112.528 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -136.03 -71.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 74.2 110.865 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.98 169.47 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 65.12 110.891 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 92.51 -176.42 38.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 54.43 112.478 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 105.4 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.273 . . . . 72.11 112.36 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -58.52 -43.18 89.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 63.41 110.901 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.52 148.01 13.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.886 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 65.2 110.884 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.934 0.397 . . . . 74.43 110.849 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -121.71 176.32 5.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 74.02 110.892 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -171.33 168.86 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 50.42 111.12 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -172.86 143.08 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 75.44 111.122 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 1.1 p -174.11 158.71 3.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 61.04 110.865 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.9 170.03 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.871 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.64 165.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 65.14 111.128 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -60.33 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.865 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.6 tpt -53.12 -38.37 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 74.02 110.904 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.29 -35.8 66.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.855 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 4.1 m -68.96 -38.2 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 65.45 110.844 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.79 -36.02 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 64.45 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.61 ' HA ' HD12 ' B' ' 355' ' ' ILE . 27.8 mt -71.47 -47.76 53.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.942 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -57.35 -31.07 65.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.895 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -76.66 -38.5 54.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 71.42 110.888 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.619 HG23 ' HB1' ' B' ' 376' ' ' ALA . 18.0 mt -62.52 -39.28 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.106 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -71.89 -43.55 65.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.843 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.36 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 75.04 111.095 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.96 -36.38 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.45 110.884 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.608 HG22 HD12 ' B' ' 363' ' ' LEU . 38.4 mt -72.73 -34.57 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 62.43 111.129 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -60.9 -51.11 70.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.9 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -71.31 -31.0 66.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 75.2 110.884 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 66.6 m -79.86 -2.01 41.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.855 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.608 HD12 HG22 ' B' ' 359' ' ' ILE . 25.8 mt -120.39 26.23 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 45.15 110.882 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -71.06 170.34 13.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.88 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.023 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.02 -38.4 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.076 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -93.22 -31.1 14.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 64.14 110.891 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -110.5 36.42 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 19.9 tp -53.18 107.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 73.24 110.903 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.45 67.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.895 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.77 ' HB ' HD11 ' A' ' 412' ' ' ILE . 16.1 m -51.75 -30.72 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 64.02 111.128 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -52.15 -42.07 63.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.906 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -75.77 -32.89 60.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 64.21 110.891 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.448 ' SG ' HG23 ' B' ' 359' ' ' ILE . 45.3 t -53.08 -48.84 67.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 61.02 110.838 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -63.05 -44.83 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 64.33 111.143 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.33 -34.79 35.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.619 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.74 -51.49 11.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.15 111.108 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 16.7 mt -52.2 -35.44 49.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 72.3 110.933 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.38 -49.14 72.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 54.03 110.859 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -57.11 -47.05 82.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 62.51 110.864 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.572 HD21 ' HE3' ' B' ' 396' ' ' MET . 1.0 OUTLIER -52.38 -52.2 54.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 72.31 110.948 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.69 -34.35 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 71.22 111.125 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.99 -37.13 67.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 63.33 110.88 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 67.5 mt -67.78 119.86 13.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 71.02 110.918 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -77.51 60.7 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 65.43 110.863 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.92 137.56 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 70.11 111.122 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 13.2 t -103.05 170.04 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 45.24 111.15 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -36.05 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.888 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -59.16 5.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.896 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -36.09 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.12 110.927 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.52 -48.5 81.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 62.03 111.081 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 391' ' ' GLN . . . . . 0.592 ' O ' HG23 ' B' ' 394' ' ' THR . 4.1 mt-30 -51.88 -36.07 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 71.43 110.92 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -81.19 -35.55 31.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 54.25 110.903 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -95.28 35.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.857 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.592 HG23 ' O ' ' B' ' 391' ' ' GLN . 16.5 p -59.42 -35.26 73.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 54.13 111.106 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.54 -47.28 76.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 74.34 110.864 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 396' ' ' MET . . . . . 0.572 ' HE3' HD21 ' B' ' 380' ' ' LEU . 44.8 ttp -55.33 -39.95 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.844 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.74 ' HA ' HD12 ' B' ' 400' ' ' LEU . 54.2 mt -66.29 -43.5 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.142 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 43.9 m -54.13 -36.89 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 55.43 111.14 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -70.52 -40.07 73.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 71.54 111.138 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' B' ' 397' ' ' ILE . 11.0 mt -54.19 -37.35 64.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.876 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.27 -28.55 57.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 60.31 110.943 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -75.69 -34.16 60.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.925 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.995 HG22 HD11 ' A' ' 365' ' ' ILE . 36.3 pt -75.31 -1.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 52.0 111.09 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -34.1 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 71.35 110.858 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.0 -17.23 9.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 65.42 110.862 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.649 ' CE1' HD13 ' A' ' 368' ' ' LEU . 5.6 t80 -43.07 115.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 70.24 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -174.2 137.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 62.2 110.864 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.419 HG22 ' O ' ' B' ' 409' ' ' SER . 2.5 p -59.25 137.93 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 71.22 111.155 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 409' ' ' SER . . . . . 0.419 ' O ' HG22 ' B' ' 408' ' ' VAL . 9.8 t -71.97 179.98 3.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 64.22 110.832 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 410' ' ' GLN . . . . . 0.4 ' HA ' ' HG2' ' B' ' 413' ' ' MET . 0.0 OUTLIER -80.12 -39.6 29.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.928 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.47 -29.3 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.1 111.137 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.666 HD11 ' HB ' ' A' ' 370' ' ' VAL . 85.9 mt -75.02 -54.04 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 71.34 111.08 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 413' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' B' ' 410' ' ' GLN . 22.1 ptp -62.02 -44.37 96.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.859 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -63.32 -32.75 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.895 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -76.64 -39.54 52.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.915 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.417 ' HB2' HD11 ' A' ' 403' ' ' ILE . 60.3 p -57.85 -47.88 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 61.13 110.874 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 87.7 m -53.39 -34.35 57.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 52.43 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -48.05 82.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.86 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.54 -36.15 63.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 43.52 110.872 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -67.14 -37.6 84.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -73.49 -35.18 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.53 110.923 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -69.95 -39.26 76.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 71.45 110.896 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 16.6 m-85 -75.29 -51.71 12.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 54.34 110.909 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -54.23 -32.38 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 71.03 110.951 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -68.02 -35.39 78.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 62.42 110.868 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 26.6 mtm -75.99 -34.72 59.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.869 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 427' ' ' PHE . . . . . 0.477 ' CZ ' HG22 ' A' ' 394' ' ' THR . 13.1 m-85 -71.23 -37.12 72.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 71.21 110.84 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.512 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.4 pp -85.4 -34.76 21.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 72.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.512 ' N ' HD12 ' B' ' 428' ' ' LEU . 99.4 t 58.14 90.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.44 111.156 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -131.33 -84.45 0.3 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 42.01 112.464 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.87 143.71 22.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 62.22 110.885 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 91.36 169.39 41.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 64.44 112.511 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.89 -44.25 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 74.12 110.856 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 1.4 t -149.23 141.73 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 63.33 110.876 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 33.0 m -147.17 -177.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 65.41 111.166 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.464 HD12 ' OG1' ' B' ' 437' ' ' THR . 1.3 pp -138.05 154.07 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 70.25 111.127 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.464 ' OG1' HD12 ' B' ' 436' ' ' ILE . 1.6 m 53.53 82.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 73.13 111.14 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.12 152.99 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 54.42 110.918 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 439' ' ' VAL . . . . . 0.602 HG21 ' NH2' ' B' ' 448' ' ' ARG . 6.6 m -139.06 119.45 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.11 111.132 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.13 133.37 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 73.25 110.885 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 441' ' ' ASN . . . . . 0.456 ' ND2' HD12 ' B' ' 444' ' ' LEU . 1.0 OUTLIER -177.32 177.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.909 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -116.03 -67.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.884 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 33.2 p -62.22 -53.22 58.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 55.1 110.834 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 444' ' ' LEU . . . . . 0.456 HD12 ' ND2' ' B' ' 441' ' ' ASN . 58.4 mt -66.57 -35.99 81.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.925 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.8 44.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 72.51 111.1 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.38 -60.75 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 74.42 110.859 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -68.33 -36.14 78.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 75.01 110.947 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 448' ' ' ARG . . . . . 0.602 ' NH2' HG21 ' B' ' 439' ' ' VAL . 2.9 ttt180 -52.19 -61.89 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 73.21 110.875 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -52.05 -36.15 49.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.884 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -59.15 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 65.3 110.897 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -67.56 -49.98 60.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.876 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -36.32 49.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 65.55 110.891 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.12 -35.91 49.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 64.13 111.085 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -59.55 -44.85 93.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.895 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt 54.89 90.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.892 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 4.1 t -138.8 149.17 44.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 63.12 111.12 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.07 97.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 73.2 110.847 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.96 179.87 4.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.871 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -109.66 -73.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 60.35 110.928 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 59.09 89.06 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.74 -0.743 . . . . 71.53 112.513 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -136.01 -71.76 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 72.41 110.92 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.99 169.55 9.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.931 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 92.48 -176.43 38.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 65.23 112.499 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 105.24 1.45 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.711 2.274 . . . . 74.05 112.397 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -58.4 -43.14 88.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 71.54 110.868 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.77 147.96 13.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 72.33 110.9 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 61.23 110.882 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.863 0.363 . . . . 74.34 110.826 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -178.76 174.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 73.04 110.923 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -127.87 58.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 50.24 111.066 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -175.97 -169.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.12 111.086 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 66.8 m -53.35 102.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 73.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.32 -170.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 71.32 110.874 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -35.46 41.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 73.11 111.169 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 51.1 m -51.93 -39.51 59.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 60.3 110.866 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -39.9 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 71.15 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -73.3 -35.9 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.866 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -38.73 76.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 64.41 110.912 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -75.66 -34.91 60.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 74.54 110.892 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.691 ' HA ' HD12 ' A' ' 355' ' ' ILE . 11.1 mt -71.78 -47.67 51.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.94 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -57.67 -30.46 65.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 72.33 110.873 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -73.18 -40.28 64.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.897 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 352' ' ' LEU . 19.8 mt -60.62 -41.82 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.164 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -71.98 -39.53 69.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 71.44 110.82 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.83 -45.27 78.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 63.02 111.123 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -55.12 -53.8 51.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 64.34 110.851 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.483 HG22 HD12 ' A' ' 363' ' ' LEU . 51.9 mt -55.09 -35.61 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.15 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -58.65 -51.9 67.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.35 110.856 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -72.97 -32.85 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 61.12 110.915 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 8.2 m -74.05 -7.67 53.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.51 110.828 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.483 HD12 HG22 ' A' ' 359' ' ' ILE . 43.5 mt -115.21 26.22 10.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 63.44 110.927 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 170.58 10.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 0.982 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.43 -37.82 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 75.13 111.111 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -92.7 -31.53 15.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.887 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.51 36.36 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 65.54 110.883 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.493 HD13 ' CD2' ' B' ' 406' ' ' PHE . 19.5 tp -53.48 107.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 61.41 110.911 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -131.46 81.84 2.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.857 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.556 ' HB ' HD11 ' B' ' 412' ' ' ILE . 8.9 m -60.92 -26.96 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.073 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -51.93 -39.91 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.89 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -75.76 -34.69 60.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.854 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.462 ' SG ' HG23 ' A' ' 359' ' ' ILE . 7.9 t -53.37 -59.56 4.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 70.04 110.872 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.33 -48.73 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 55.44 111.119 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.88 -35.24 44.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.49 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.82 -53.51 7.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.128 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.694 HD22 HD12 ' B' ' 419' ' ' LEU . 85.4 mt -52.2 -35.49 49.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.897 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.6 -48.9 79.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 44.25 110.901 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -43.55 98.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 34.12 110.883 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.725 HD21 ' HE3' ' A' ' 396' ' ' MET . 2.6 tm? -55.85 -37.11 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 52.31 110.953 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.51 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -73.55 -35.08 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 53.33 111.116 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -36.41 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 74.33 110.821 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 73.5 mt -58.99 131.11 50.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 63.21 110.913 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -89.6 55.35 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.02 110.917 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.98 137.64 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 44.12 111.111 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -102.74 171.85 7.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 72.12 111.145 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -40.65 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.897 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.17 -59.26 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 70.25 110.865 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.43 -36.56 81.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 70.44 110.921 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.98 77.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 73.34 111.09 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -51.93 -37.91 54.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.918 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.4 -35.4 61.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.912 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -95.26 35.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 70.14 110.84 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.515 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.1 OUTLIER -62.79 -38.23 89.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 63.35 111.14 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.44 -48.97 73.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 65.31 110.883 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.725 ' HE3' HD21 ' A' ' 380' ' ' LEU . 53.8 ttp -55.35 -35.65 65.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.852 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.804 ' HA ' HD12 ' A' ' 400' ' ' LEU . 60.8 mt -68.47 -36.64 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 64.34 111.151 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 16.7 m -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 71.25 111.128 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.2 m -64.55 -35.63 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 64.32 111.124 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 397' ' ' ILE . 21.5 mt -57.56 -35.22 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.918 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -76.25 -29.2 57.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 75.05 110.889 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -74.8 -35.62 62.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 71.01 110.909 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.025 HG22 HD11 ' B' ' 365' ' ' ILE . 35.9 pt -73.23 -1.55 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.44 111.098 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -34.45 42.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.01 110.85 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.63 -18.71 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.49 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.6 OUTLIER -40.13 117.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.879 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -174.28 135.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.414 HG22 ' HB ' ' A' ' 412' ' ' ILE . 10.7 p -61.86 133.49 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 43.23 111.179 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 37.9 t -68.94 167.57 15.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.888 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -69.55 -35.16 75.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' VAL . . . . . 0.424 HG13 HG13 ' A' ' 412' ' ' ILE . 5.6 p -53.36 -40.28 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 73.11 111.112 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.594 HD11 ' HB ' ' B' ' 370' ' ' VAL . 94.0 mt -73.56 -45.55 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.31 111.131 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.01 -33.25 72.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 65.12 110.88 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.31 -53.32 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.895 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -60.28 -41.22 92.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.887 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 94.1 p -54.95 -41.95 71.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.867 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 34.6 m -59.5 -57.75 11.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 73.02 111.14 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 8.5 ttp -49.5 -38.26 29.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 71.21 110.85 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.608 HD12 HD22 ' B' ' 377' ' ' LEU . 61.9 mt -75.23 -35.57 61.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 71.2 110.85 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -61.69 -62.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 74.23 110.942 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -59.54 -33.39 71.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -52.56 -46.34 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.885 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.594 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 60.0 m-85 -75.51 -46.41 32.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 74.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 424' ' ' LYS . . . . . 0.747 ' HG2' HD23 ' A' ' 428' ' ' LEU . 11.4 tttm -52.96 -36.84 60.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 63.42 110.909 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -60.81 -35.41 76.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 44.24 110.944 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 23.3 mtm -76.81 -35.35 57.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.886 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -73.25 -36.35 66.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 65.35 110.874 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.747 HD23 ' HG2' ' A' ' 424' ' ' LYS . 4.2 pp -85.17 -35.22 21.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.919 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.467 ' N ' HD12 ' A' ' 428' ' ' LEU . 93.5 t 56.5 90.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 70.12 111.193 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 168.61 -81.34 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 25.3 112.493 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -178.65 171.05 1.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 75.24 110.895 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 140.62 142.51 4.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 64.41 112.481 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -179.18 173.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 72.32 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 13.9 t 59.77 174.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 75.02 110.853 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.67 127.22 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 45.03 111.158 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 59.8 mt -124.86 -35.97 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 70.31 111.147 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.9 m 64.44 42.54 5.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 73.3 111.202 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.64 -168.07 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 73.44 110.937 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 40.3 t -49.33 113.89 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 34.11 111.111 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 49.7 mt -103.57 -68.36 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 61.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ASN . . . . . 0.469 ' C ' ' HB2' ' A' ' 445' ' ' ALA . 7.7 m120 -88.02 178.36 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 64.43 110.877 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -116.38 -68.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 73.11 110.888 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 6.3 t -72.74 -55.38 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 75.3 110.858 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -33.64 76.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.96 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.469 ' HB2' ' C ' ' A' ' 441' ' ' ASN . . . -50.61 -34.28 25.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 72.32 111.128 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -54.96 -57.42 11.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 72.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -74.3 -47.88 31.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 64.54 110.91 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.92 -34.7 42.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 53.15 110.842 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 453' ' ' ALA . 47.5 tt0 -50.74 -35.65 32.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.883 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -35.52 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.51 110.925 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -59.3 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 75.33 110.899 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.79 -35.94 73.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.897 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 449' ' ' GLN . . . -51.55 -35.6 41.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.2 111.053 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -80.79 -43.39 20.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 74.14 110.867 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.11 119.21 25.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.923 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.8 p -110.47 163.79 13.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 60.34 111.183 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.64 -50.22 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 72.51 110.906 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 48.63 85.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.847 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.84 111.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 44.03 110.926 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -137.8 -56.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 70.4 112.449 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.48 157.53 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 74.2 110.924 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -179.47 138.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 65.12 110.912 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 58.99 77.32 0.18 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 54.43 112.519 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 102.42 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.722 2.281 . . . . 72.11 112.339 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -56.0 177.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 63.41 110.869 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.49 -173.17 4.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.861 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 1.4 tptp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 65.2 110.895 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.853 0.359 . . . . 74.43 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -178.69 173.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 74.02 110.914 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -127.76 58.17 1.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 50.42 111.133 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -175.89 -169.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 75.44 111.113 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 66.7 m -53.25 102.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 61.04 110.826 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.09 -170.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 74.35 110.876 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.28 -35.49 50.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 65.14 111.144 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 50.2 m -51.95 -40.21 60.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 65.44 110.853 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.57 -39.05 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 74.02 110.876 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.15 -37.01 66.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.889 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -39.33 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 65.45 110.839 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.87 -36.35 62.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 64.45 110.861 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.705 ' HA ' HD12 ' B' ' 355' ' ' ILE . 11.8 mt -71.57 -48.05 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 63.21 110.945 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -58.4 -32.64 68.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 64.41 110.896 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -70.3 -40.15 74.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 71.42 110.902 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' B' ' 352' ' ' LEU . 14.8 mt -61.81 -41.87 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.43 111.142 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -69.72 -38.68 76.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.841 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.69 -43.94 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 75.04 111.14 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -55.39 -54.09 48.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.45 110.893 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.468 HG22 HD12 ' B' ' 363' ' ' LEU . 54.3 mt -54.82 -35.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 62.43 111.127 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -58.32 -51.91 67.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 74.3 110.923 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -73.15 -32.59 64.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.88 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.2 m -74.12 -7.59 53.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.861 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.468 HD12 HG22 ' B' ' 359' ' ' ILE . 46.0 mt -115.49 26.22 10.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 45.15 110.901 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 170.7 9.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.917 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.025 HD11 HG22 ' A' ' 403' ' ' ILE . 5.4 tp -84.43 -37.84 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.134 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -92.86 -31.81 14.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 64.14 110.882 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.2 36.44 2.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 65.1 110.876 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 406' ' ' PHE . 19.3 tp -53.42 107.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.922 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -131.69 81.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 74.12 110.867 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.594 ' HB ' HD11 ' A' ' 412' ' ' ILE . 9.4 m -61.08 -26.72 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.02 111.117 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -51.81 -39.95 59.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.873 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -75.86 -34.57 60.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 64.21 110.889 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.449 ' SG ' HG23 ' B' ' 359' ' ' ILE . 10.8 t -53.45 -58.87 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 61.02 110.897 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.5 -48.11 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 64.33 111.103 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.77 -35.59 44.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.628 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.78 -52.89 8.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.15 111.129 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 377' ' ' LEU . . . . . 0.608 HD22 HD12 ' A' ' 419' ' ' LEU . 79.4 mt -52.21 -35.7 50.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 72.3 110.916 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.27 -49.04 78.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 54.03 110.872 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -42.88 99.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 62.51 110.896 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.701 HD21 ' HE3' ' B' ' 396' ' ' MET . 2.4 tm? -56.01 -40.49 73.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.899 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 381' ' ' ALA . . . . . 0.524 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -70.65 -35.09 72.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 71.22 111.057 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -37.08 67.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 63.33 110.856 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.54 131.18 50.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 71.02 110.875 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -90.02 55.57 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 65.43 110.925 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.95 137.46 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 70.11 111.149 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -101.97 172.47 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 45.24 111.164 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -40.46 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.859 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.43 -58.57 6.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.945 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.81 -36.29 80.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.891 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.71 -48.8 78.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 62.03 111.099 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -51.97 -36.89 51.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 71.43 110.959 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -35.77 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 54.25 110.883 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -95.36 35.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.874 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.578 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.1 OUTLIER -62.35 -37.78 86.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 54.13 111.156 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.43 -48.2 74.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.891 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 396' ' ' MET . . . . . 0.701 ' HE3' HD21 ' B' ' 380' ' ' LEU . 53.9 ttp -55.6 -36.8 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 75.43 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' B' ' 400' ' ' LEU . 55.5 mt -66.54 -37.62 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 71.44 111.135 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 16.9 m -61.68 -39.73 92.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 55.43 111.151 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.0 m -64.42 -35.18 80.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 71.54 111.15 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' B' ' 397' ' ' ILE . 23.0 mt -58.28 -36.38 73.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 75.11 110.923 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -75.57 -29.07 59.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 60.31 110.916 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -74.27 -36.31 63.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.879 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.982 HG22 HD11 ' A' ' 365' ' ' ILE . 32.6 pt -73.46 -1.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 52.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -34.32 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 71.35 110.873 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.24 -18.82 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 65.42 110.868 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.503 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.86 118.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.896 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -174.79 134.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 62.2 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.11 134.3 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 71.22 111.126 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 37.2 t -69.73 168.22 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.858 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -70.1 -35.04 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 73.33 110.9 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 411' ' ' VAL . . . . . 0.432 HG13 HG13 ' B' ' 412' ' ' ILE . 5.8 p -53.2 -40.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 73.1 111.133 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.556 HD11 ' HB ' ' A' ' 370' ' ' VAL . 86.9 mt -73.87 -45.07 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 71.34 111.149 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.9 mtm -61.12 -32.52 72.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.888 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.91 -53.47 13.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.914 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -59.97 -39.42 85.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.408 ' HB2' HD11 ' A' ' 403' ' ' ILE . 77.1 p -55.15 -46.62 75.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 61.13 110.845 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 37.7 m -56.68 -57.23 13.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 52.43 111.112 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 8.4 ttp -50.28 -35.7 28.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.866 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.694 HD12 HD22 ' A' ' 377' ' ' LEU . 50.3 mt -74.7 -46.44 37.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 43.52 110.922 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -59.65 -55.14 38.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.921 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -57.62 -35.14 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.92 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -57.99 -51.07 71.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.906 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.582 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 56.4 m-85 -66.39 -46.8 75.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 54.34 110.907 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 424' ' ' LYS . . . . . 0.687 ' HG2' HD23 ' B' ' 428' ' ' LEU . 9.2 tttm -53.22 -35.72 60.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 71.03 110.876 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.65 -35.53 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 62.42 110.893 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 23.3 mtm -76.53 -35.11 58.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.868 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -73.18 -37.07 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 71.21 110.898 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.687 HD23 ' HG2' ' B' ' 424' ' ' LYS . 4.2 pp -84.39 -35.33 23.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 72.0 110.951 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.466 ' N ' HD12 ' B' ' 428' ' ' LEU . 94.5 t 56.6 89.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.44 111.116 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 168.3 -81.02 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 42.01 112.464 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -177.4 171.37 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 62.22 110.865 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 140.75 142.21 4.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 64.44 112.512 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -178.76 175.34 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 74.12 110.823 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 13.4 t 59.67 179.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 63.33 110.851 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 6.7 p -75.09 126.37 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 65.41 111.132 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 60.3 mt -120.18 -36.99 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 70.25 111.121 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 1.9 m 64.36 35.32 9.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 73.13 111.141 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.46 132.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 54.42 110.946 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 14.6 t 59.83 101.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.138 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 440' ' ' LEU . . . . . 0.502 HD12 HH22 ' B' ' 448' ' ' ARG . 43.3 mt -126.29 -74.82 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.963 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 441' ' ' ASN . . . . . 0.481 ' C ' ' HB2' ' B' ' 445' ' ' ALA . 7.2 m120 -99.17 179.57 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.882 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -116.32 -68.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.854 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 6.3 t -73.37 -55.19 6.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 55.1 110.867 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -32.82 74.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.903 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 445' ' ' ALA . . . . . 0.481 ' HB2' ' C ' ' B' ' 441' ' ' ASN . . . -50.49 -33.38 21.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 72.51 111.142 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -54.81 -59.92 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.868 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.42 -45.49 54.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 75.01 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 448' ' ' ARG . . . . . 0.502 HH22 HD12 ' B' ' 440' ' ' LEU . 1.6 tmm_? -51.92 -36.11 47.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.838 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 449' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' B' ' 453' ' ' ALA . 47.2 tt0 -51.54 -35.73 41.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.908 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.16 -35.83 64.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 65.3 110.823 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -59.24 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.43 110.87 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.02 -35.43 73.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 65.55 110.892 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 453' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' B' ' 449' ' ' GLN . . . -51.63 -36.03 44.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 64.13 111.083 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -80.4 -42.82 22.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.73 121.4 33.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.25 110.901 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 27.8 p -108.56 160.18 16.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 63.12 111.163 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.83 41.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.2 110.89 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -48.25 104.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.838 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -166.79 104.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 60.35 110.877 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -135.56 -39.57 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 71.53 112.51 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.88 -173.65 4.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.344 . . . . 72.41 110.889 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -178.73 -168.69 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 72.34 110.939 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -48.96 107.87 0.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 65.23 112.535 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 111.06 2.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.715 2.276 . . . . 74.05 112.384 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -60.67 -178.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.75 -174.95 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.842 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 1.4 tptp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 61.23 110.898 179.886 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.847 0.356 . . . . 74.34 110.879 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -170.25 164.82 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.907 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -121.33 146.32 46.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 50.24 111.115 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' ALA . . . . . 0.433 ' HB3' ' OE2' ' A' ' 345' ' ' GLU . . . -101.83 -178.73 3.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 74.12 111.123 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 1.2 t -120.63 87.65 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 345' ' ' GLU . . . . . 0.433 ' OE2' ' HB3' ' A' ' 343' ' ' ALA . 11.1 mp0 -140.19 127.43 21.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 71.32 110.924 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 1.4 m 49.27 88.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 73.11 111.121 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -39.34 72.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 60.3 110.873 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -34.24 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 71.15 110.863 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -73.49 -35.8 65.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.889 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -39.08 89.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.883 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.46 HH11 HD22 ' A' ' 383' ' ' LEU . 7.4 ptp180 -74.92 -33.62 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.54 110.878 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.688 ' HA ' HD12 ' A' ' 355' ' ' ILE . 1.1 mp -71.19 -47.77 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.962 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -56.08 -28.64 58.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.883 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -77.2 -41.0 43.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.847 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 352' ' ' LEU . 21.3 mt -59.69 -38.77 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 73.14 111.133 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -71.9 -51.14 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.838 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.63 94.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 63.02 111.11 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.17 -52.1 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 64.34 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 44.3 mt -59.24 -35.0 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.32 111.138 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -61.64 -52.46 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 71.35 110.863 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -70.77 -26.96 63.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 61.12 110.872 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.2 p -76.86 -27.18 54.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 73.51 110.852 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 363' ' ' LEU . 37.4 mt -94.85 26.57 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 63.44 110.939 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 168.84 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.13 110.865 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 0.965 HD11 HG22 ' B' ' 403' ' ' ILE . 5.7 tp -84.9 -41.0 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 75.13 111.151 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.418 ' N ' HG23 ' A' ' 365' ' ' ILE . 47.6 t0 -89.18 -33.74 16.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.879 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -106.78 36.56 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 65.54 110.857 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.7 tp -54.46 106.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 61.41 110.924 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -132.58 74.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.921 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.769 ' HB ' HD11 ' B' ' 412' ' ' ILE . 18.2 m -51.3 -28.99 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.121 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -51.29 -37.79 49.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.86 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -76.33 -35.45 58.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.846 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 23.6 t -55.6 -57.9 10.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 70.04 110.887 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -53.41 -49.07 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 55.44 111.096 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -51.66 -35.29 41.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.884 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.497 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.94 -51.33 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.121 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 45.9 mt -52.1 -40.9 61.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.3 110.952 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.69 -44.47 96.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 44.25 110.876 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -48.02 83.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 34.12 110.92 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.517 HD21 ' HE3' ' A' ' 396' ' ' MET . 0.7 OUTLIER -52.47 -52.57 53.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 52.31 110.929 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.21 -34.19 63.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 53.33 111.143 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.39 -36.11 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.879 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.46 HD22 HH11 ' A' ' 351' ' ' ARG . 60.7 mt -70.9 123.96 23.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 63.21 110.901 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.96 73.56 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 74.02 110.921 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 23.6 t -71.05 132.31 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 44.12 111.101 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 386' ' ' THR . . . . . 0.433 HG22 ' OE1' ' A' ' 389' ' ' GLN . 15.1 t -95.56 172.48 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 72.12 111.179 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -39.15 80.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.825 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -60.56 -46.69 89.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 70.25 110.922 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 389' ' ' GLN . . . . . 0.433 ' OE1' HG22 ' A' ' 386' ' ' THR . 0.1 OUTLIER -71.07 -44.45 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 70.44 110.908 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.68 -44.0 81.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.34 111.105 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -51.69 -36.41 46.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.891 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.9 -35.21 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 71.12 110.891 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.653 ' CG ' HD23 ' A' ' 352' ' ' LEU . 74.8 m80 -95.42 35.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 70.14 110.842 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.1 p -64.41 -39.4 93.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.35 111.147 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -55.46 -48.12 75.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 65.31 110.862 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.517 ' HE3' HD21 ' A' ' 380' ' ' LEU . 58.5 ttp -55.36 -36.13 65.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 74.31 110.921 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.774 ' HA ' HD12 ' A' ' 400' ' ' LEU . 55.0 mt -68.95 -35.14 67.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 64.34 111.152 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 89.0 m -61.42 -40.22 93.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 71.25 111.119 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.0 m -62.44 -37.44 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 64.32 111.191 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 397' ' ' ILE . 15.2 mt -56.37 -34.82 67.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.889 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -76.16 -28.61 57.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 75.05 110.877 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.53 -35.54 60.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 71.01 110.865 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 0.957 HG22 HD11 ' B' ' 365' ' ' ILE . 36.1 pt -73.47 -1.56 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 75.44 111.15 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -79.61 -33.59 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 64.01 110.889 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.82 -20.14 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.9 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.489 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.43 123.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.04 110.861 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -178.91 140.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.21 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.524 HG22 ' HB ' ' A' ' 412' ' ' ILE . 9.7 p -59.91 143.75 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 43.23 111.105 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 8.0 t -76.49 179.65 5.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.868 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -80.34 -33.61 37.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.923 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.12 -38.28 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.102 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.761 HD11 ' HB ' ' B' ' 370' ' ' VAL . 98.3 mt -67.08 -54.52 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.31 111.15 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 25.6 ptp -59.86 -33.96 72.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 65.12 110.872 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -73.61 -35.89 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.873 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -76.47 -35.71 58.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.0 p -58.15 -47.12 84.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 71.33 110.784 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 32.2 m -53.31 -45.29 68.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 73.02 111.122 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.7 tpt -50.88 -50.32 57.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 71.21 110.884 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.804 HD12 HD12 ' B' ' 380' ' ' LEU . 3.7 mm? -69.51 -44.17 71.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 71.2 110.903 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -54.94 -44.82 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.963 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -72.39 -44.67 62.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 73.14 110.867 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -53.81 -46.84 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.928 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -63.18 -45.22 92.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 74.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -35.88 76.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 63.42 110.91 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 429' ' ' VAL . 1.8 t-20 -52.92 -34.09 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 44.24 110.866 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 426' ' ' MET . . . . . 0.555 ' HA ' HG12 ' A' ' 429' ' ' VAL . 59.2 mtm -85.47 -35.58 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.832 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -61.98 -37.13 83.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 65.35 110.893 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 1.9 pp -75.73 -34.87 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.875 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 426' ' ' MET . 9.9 p -99.3 31.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 70.12 111.14 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -149.34 33.16 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 25.3 112.464 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.34 -171.74 2.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.943 0.402 . . . . 75.24 110.888 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -168.46 -49.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 64.41 112.484 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -176.03 170.39 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 72.32 110.88 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 1.3 t -179.41 100.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 75.02 110.898 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.776 HG12 HG13 ' A' ' 436' ' ' ILE . 20.7 t -68.19 119.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 45.03 111.091 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.776 HG13 HG12 ' A' ' 435' ' ' VAL . 25.2 mt 64.44 108.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 70.31 111.15 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.39 129.03 8.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 73.3 111.133 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -154.78 55.99 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.909 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.07 -177.94 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 34.11 111.131 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.72 119.21 9.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 61.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -177.35 -171.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 64.43 110.88 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -38.53 56.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.899 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -36.51 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 75.3 110.897 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.64 -36.0 75.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 75.3 110.915 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.74 -35.68 44.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 72.32 111.093 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -65.45 -40.75 93.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 72.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -36.16 64.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 64.54 110.892 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -52.22 -36.02 51.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 53.15 110.838 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -35.85 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 74.13 110.936 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -52.01 -44.56 64.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 75.51 110.795 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -52.78 -37.45 59.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.878 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -74.63 -56.8 4.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.854 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.63 -34.83 53.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.133 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -51.6 -44.25 62.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 74.14 110.887 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -111.41 -74.98 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 73.14 110.88 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 1.9 t 178.97 -42.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 60.34 111.153 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 71.1 -69.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 72.51 110.878 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -179.16 -170.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.86 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -141.91 137.98 31.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 44.03 110.858 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 74.36 130.74 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.74 . . . . 70.4 112.456 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -172.62 150.66 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 74.2 110.88 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -162.98 175.86 10.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 65.12 110.908 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 153.58 69.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.76 . . . . 54.43 112.496 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 146.87 61.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 72.11 112.363 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.76 160.54 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.881 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -175.78 152.46 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.926 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 65.2 110.913 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.923 0.392 . . . . 74.43 110.799 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -170.26 165.51 8.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 74.02 110.891 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -115.03 145.27 42.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 50.42 111.065 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -95.99 -175.39 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 75.44 111.106 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 1.2 t -116.8 101.91 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 61.04 110.88 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -131.15 -168.11 1.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 74.35 110.858 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 1.5 m -46.48 108.58 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 65.14 111.149 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -39.06 53.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 65.44 110.822 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -36.98 73.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 74.02 110.91 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -73.44 -39.54 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.86 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -39.54 94.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 65.45 110.868 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -74.69 -34.71 62.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 64.45 110.915 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.825 ' HA ' HD12 ' B' ' 355' ' ' ILE . 12.1 mt -71.51 -47.86 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 63.21 110.891 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -55.76 -28.56 56.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.931 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -76.8 -39.32 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.42 110.891 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.825 HD12 ' HA ' ' B' ' 352' ' ' LEU . 17.7 mt -60.5 -38.37 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.104 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -71.32 -49.84 38.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.823 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.03 99.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 75.04 111.095 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.59 -51.19 67.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.832 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.403 HG23 ' SG ' ' B' ' 373' ' ' CYS . 43.3 mt -59.87 -35.47 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 62.43 111.145 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -61.05 -52.27 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 74.3 110.869 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -70.9 -27.21 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.2 110.888 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.7 p -76.68 -27.41 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.895 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 37.1 mt -94.45 26.3 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 45.15 110.926 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 168.85 9.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 72.41 110.895 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 0.957 HD11 HG22 ' A' ' 403' ' ' ILE . 5.8 tp -84.91 -40.84 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 74.33 111.116 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.42 ' N ' HG23 ' B' ' 365' ' ' ILE . 47.7 t0 -89.37 -33.55 16.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.872 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -106.88 36.56 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 65.1 110.885 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 16.8 tp -54.42 106.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.902 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -132.74 74.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.761 ' HB ' HD11 ' A' ' 412' ' ' ILE . 18.0 m -51.39 -29.04 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 64.02 111.126 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -51.38 -37.61 49.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 73.44 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -76.37 -35.53 58.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 64.21 110.874 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.403 ' SG ' HG23 ' B' ' 359' ' ' ILE . 20.1 t -55.35 -58.04 9.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 61.02 110.902 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.3 -47.62 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 64.33 111.143 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.96 -36.31 49.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.601 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.98 -48.86 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.15 111.11 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.11 -39.66 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 72.3 110.919 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.08 -48.31 80.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 54.03 110.846 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -46.73 79.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 62.51 110.88 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.804 HD12 HD12 ' A' ' 419' ' ' LEU . 0.4 OUTLIER -52.34 -54.93 25.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.916 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.48 64.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.22 111.071 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.62 -36.41 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.33 110.845 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 58.1 mt -72.17 121.56 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 71.02 110.909 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.37 72.32 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 65.43 110.904 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 24.6 t -69.49 132.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 70.11 111.126 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 386' ' ' THR . . . . . 0.404 HG22 ' OE1' ' B' ' 389' ' ' GLN . 15.1 t -96.2 172.34 8.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 45.24 111.136 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -38.53 79.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.83 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -60.99 -47.16 87.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.938 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 389' ' ' GLN . . . . . 0.404 ' OE1' HG22 ' B' ' 386' ' ' THR . 0.1 OUTLIER -70.79 -44.58 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 74.12 110.91 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.05 -44.28 78.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 62.03 111.095 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -51.81 -36.05 46.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.916 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.51 -35.5 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 54.25 110.915 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -95.24 35.6 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.861 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.1 p -63.45 -40.8 98.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 54.13 111.126 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -55.55 -47.31 76.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.901 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 396' ' ' MET . . . . . 0.452 ' HE3' HD21 ' B' ' 380' ' ' LEU . 53.9 ttp -55.35 -35.77 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.43 110.855 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.794 ' HA ' HD12 ' B' ' 400' ' ' LEU . 54.7 mt -70.1 -34.84 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.109 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 88.2 m -61.2 -40.08 92.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 55.43 111.137 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.4 m -62.38 -37.95 87.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 71.54 111.145 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' B' ' 397' ' ' ILE . 12.5 mt -55.87 -35.17 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.877 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -76.03 -28.48 57.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 60.31 110.898 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.54 -35.59 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.895 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.965 HG22 HD11 ' A' ' 365' ' ' ILE . 35.7 pt -73.49 -1.62 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 52.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -79.57 -33.39 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.86 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.06 -20.22 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 65.42 110.879 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.468 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -40.25 123.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 70.24 110.925 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -178.81 140.32 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.2 110.937 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.522 HG22 ' HB ' ' B' ' 412' ' ' ILE . 9.8 p -60.21 143.46 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 71.22 111.155 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 7.9 t -76.11 179.45 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 64.22 110.885 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -80.22 -33.72 37.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.914 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.09 -38.37 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.1 111.083 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.769 HD11 ' HB ' ' A' ' 370' ' ' VAL . 98.4 mt -66.87 -54.51 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 71.34 111.102 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.9 ptp -59.67 -33.89 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.904 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -73.8 -36.03 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.881 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -76.23 -34.97 59.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 74.32 110.849 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.8 p -58.89 -48.01 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 61.13 110.864 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 67.9 m -53.3 -44.44 68.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 52.43 111.173 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -51.53 -50.13 60.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.864 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 25.8 mt -71.5 -40.42 70.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 43.52 110.878 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.54 -44.12 84.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 75.05 110.916 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -73.55 -44.13 58.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 72.53 110.933 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -53.43 -47.85 69.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.932 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -62.46 -44.03 97.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 54.34 110.87 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -35.89 78.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 71.03 110.865 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -53.05 -33.54 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 62.42 110.875 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 426' ' ' MET . . . . . 0.567 ' HA ' HG12 ' B' ' 429' ' ' VAL . 59.4 mtm -85.56 -35.36 21.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.874 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -62.45 -37.18 84.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 71.21 110.885 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 1.9 pp -74.68 -34.8 62.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 72.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.567 HG12 ' HA ' ' B' ' 426' ' ' MET . 9.8 p -97.48 30.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.125 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -152.59 44.59 0.62 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 42.01 112.488 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -169.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.947 0.403 . . . . 62.22 110.857 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 176.53 38.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 64.44 112.491 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.45 151.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 74.12 110.862 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 1.3 t -160.36 105.96 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 63.33 110.882 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.836 HG12 HG13 ' B' ' 436' ' ' ILE . 18.6 t -61.98 124.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 65.41 111.085 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.836 HG13 HG12 ' B' ' 435' ' ' VAL . 29.3 mt 64.23 109.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 70.25 111.161 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.96 127.42 6.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 73.13 111.095 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -157.45 55.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 54.42 110.863 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 17.0 m -132.15 -177.97 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 74.11 111.136 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.5 118.97 8.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.935 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -177.38 -171.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 71.33 110.86 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -38.56 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.876 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.64 -36.62 72.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 55.1 110.873 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.64 -36.0 75.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 73.22 110.885 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.69 43.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 72.51 111.091 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -65.54 -40.81 93.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.903 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -36.33 64.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 75.01 110.901 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -51.95 -36.06 48.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.903 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -35.93 48.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.893 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -51.95 -44.3 63.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 65.3 110.869 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.06 -37.56 61.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.839 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -74.44 -56.78 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 65.55 110.911 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.63 -34.82 53.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 64.13 111.093 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -51.65 -44.13 62.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.87 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -111.54 -74.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 72.25 110.89 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 1.9 t 178.92 -42.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 63.12 111.159 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 71.09 -69.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.908 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -179.16 -170.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.872 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -142.05 137.92 31.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 60.35 110.894 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 74.44 130.63 0.21 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 71.53 112.472 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -172.68 150.62 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 72.41 110.911 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -163.01 175.82 10.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.933 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 153.73 69.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 65.23 112.466 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 147.1 61.56 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.259 . . . . 74.05 112.268 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -175.89 160.78 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 71.54 110.873 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -175.9 152.66 1.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 72.33 110.862 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 61.23 110.863 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.868 0.366 . . . . 74.34 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -135.97 -52.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 73.04 110.868 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . 55.1 89.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 50.24 111.065 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -157.38 117.71 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 74.12 111.094 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.82 170.03 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.0 110.834 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -169.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 71.32 110.852 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 346' ' ' THR . . . . . 0.401 HG22 ' CG ' ' A' ' 349' ' ' ASP . 0.2 OUTLIER 64.41 36.53 8.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 73.11 111.157 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 27.5 t -55.69 -35.75 66.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 60.3 110.882 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.12 -36.86 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 71.15 110.845 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 349' ' ' ASP . . . . . 0.401 ' CG ' HG22 ' A' ' 346' ' ' THR . 2.0 m-20 -73.93 -35.82 64.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 75.24 110.817 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.2 -37.6 81.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 64.41 110.861 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -75.21 -34.21 61.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.828 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.597 HD23 ' CG ' ' A' ' 393' ' ' HIS . 0.9 OUTLIER -71.45 -47.64 54.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 73.52 110.876 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -57.76 -30.62 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.882 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -77.12 -43.46 34.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.883 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.593 HG23 ' HB1' ' A' ' 376' ' ' ALA . 76.6 mt -63.55 -39.21 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.14 111.105 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -72.19 -45.07 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 71.44 110.796 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.96 87.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 63.02 111.063 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -54.77 -54.07 46.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 64.34 110.899 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 45.4 mt -55.39 -33.82 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 73.32 111.127 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -61.89 -52.09 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.35 110.922 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -69.56 -29.41 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 61.12 110.896 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 13.3 m -76.13 -26.92 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 73.51 110.822 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 22.6 mt -93.98 26.74 3.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 63.44 110.891 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.73 170.56 7.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 73.13 110.888 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 0.924 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.46 -39.79 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 75.13 111.095 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.403 ' N ' HG23 ' A' ' 365' ' ' ILE . 3.1 p30 -91.02 -33.38 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 72.25 110.922 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -105.4 36.23 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 65.54 110.846 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' B' ' 406' ' ' PHE . 17.8 tp -55.57 107.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 61.41 110.927 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -134.55 76.03 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.908 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.43 HG12 ' CD1' ' B' ' 412' ' ' ILE . 5.3 m -51.42 -29.29 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.32 111.156 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -51.71 -37.73 52.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.911 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -75.98 -35.87 59.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.878 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 35.3 t -55.21 -58.93 5.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 70.04 110.899 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.57 -47.27 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 55.44 111.106 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.79 -36.79 49.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.883 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.593 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -77.15 -50.84 12.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 74.24 111.083 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.417 HD11 HG23 ' B' ' 412' ' ' ILE . 28.9 mt -51.94 -34.46 42.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.912 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 44.25 110.869 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.59 -49.2 78.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 34.12 110.916 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.732 HD12 HD22 ' B' ' 419' ' ' LEU . 1.7 tm? -51.88 -37.16 51.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 52.31 110.924 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.62 -34.6 76.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 53.33 111.092 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 8.4 t -79.05 -33.79 44.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.856 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.04 122.17 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 63.21 110.93 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -76.87 65.44 2.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.939 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -66.46 134.65 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 44.12 111.147 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.5 t -109.34 177.27 4.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 72.12 111.107 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.891 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -51.5 -50.47 59.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 70.25 110.927 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -38.59 63.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 70.44 110.864 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.09 -48.02 74.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 73.34 111.13 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -51.71 -35.79 44.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.911 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -81.47 -35.53 30.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 71.12 110.937 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.597 ' CG ' HD23 ' A' ' 352' ' ' LEU . 73.1 m80 -95.49 35.77 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 70.14 110.845 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.0 p -60.84 -37.54 82.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 63.35 111.145 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -45.34 84.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 65.31 110.872 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 48.4 ttp -55.36 -38.23 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.748 ' HA ' HD12 ' A' ' 400' ' ' LEU . 48.0 mt -69.06 -43.11 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 64.34 111.113 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 34.9 m -54.32 -37.51 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 71.25 111.136 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.8 m -68.07 -42.5 80.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 64.32 111.147 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 397' ' ' ILE . 27.5 mt -52.36 -38.16 58.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 73.43 110.916 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -75.9 -28.75 58.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 75.05 110.895 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -74.94 -36.01 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 71.01 110.911 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 0.975 HG22 HD11 ' B' ' 365' ' ' ILE . 34.3 pt -73.2 -1.53 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 75.44 111.136 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.06 -34.57 43.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.01 110.873 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 405' ' ' ARG . . . . . 0.428 HH21 HD23 ' B' ' 368' ' ' LEU . 0.0 OUTLIER -121.1 -18.6 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.44 110.872 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.48 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.2 OUTLIER -41.27 121.81 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.936 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -177.95 137.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.13 134.88 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 43.23 111.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 28.4 t -71.73 173.16 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.853 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -73.19 -34.07 65.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 74.23 110.889 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 411' ' ' VAL . . . . . 0.414 HG13 HG13 ' A' ' 412' ' ' ILE . 4.6 p -53.18 -41.32 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 73.11 111.14 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.442 ' CD1' HG12 ' B' ' 370' ' ' VAL . 98.2 mt -73.68 -49.66 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.129 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 36.2 mtm -55.81 -33.55 64.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 65.12 110.858 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.56 -53.36 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 73.25 110.89 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -59.76 -39.64 85.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.872 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -55.05 -47.67 74.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 71.33 110.847 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 24.8 m -57.16 -46.84 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 73.02 111.145 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 12.9 ttp -53.82 -42.25 68.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 71.21 110.851 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.642 HD22 HD12 ' B' ' 380' ' ' LEU . 57.1 mt -74.22 -44.75 51.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.958 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.561 ' CE1' HD13 ' A' ' 444' ' ' LEU . 38.2 t80 -56.06 -47.65 77.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.921 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -63.07 -40.99 99.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 73.14 110.893 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -53.56 -51.47 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.903 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.629 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 19.4 m-85 -66.53 -35.1 79.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 74.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -61.23 -37.47 83.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 63.42 110.895 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.05 -39.82 95.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 44.24 110.906 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 8.7 mtm -74.87 -32.85 61.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.9 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -73.37 -36.43 66.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 65.35 110.887 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.2 pp -84.96 -35.5 21.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 74.31 110.916 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.483 ' N ' HD12 ' A' ' 428' ' ' LEU . 99.5 t 56.44 92.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 70.12 111.127 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -107.96 110.93 3.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 25.3 112.468 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -78.87 111.22 14.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.895 0.378 . . . . 75.24 110.859 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 75.08 -109.97 2.93 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 64.41 112.505 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.55 175.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 72.32 110.882 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.36 162.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 75.02 110.861 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 5.6 m -128.14 73.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 45.03 111.159 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 13.5 mt -138.23 51.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.158 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 51.8 88.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.3 111.149 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 177.43 84.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.912 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.464 ' O ' HD12 ' A' ' 440' ' ' LEU . 5.2 m -139.53 76.72 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 34.11 111.181 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 439' ' ' VAL . 0.1 OUTLIER -178.04 172.72 1.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 61.0 110.947 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ASN . . . . . 0.412 HD22 HD12 ' A' ' 444' ' ' LEU . 11.1 t30 -94.83 -177.33 4.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.874 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.47 -39.71 3.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.909 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 8.6 t -78.63 -54.22 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.791 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 420' ' ' TYR . 44.6 mt -67.0 -35.96 81.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 75.3 110.896 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.73 -36.17 46.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.125 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.14 -60.5 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.0 110.863 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -66.14 -36.02 82.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 64.54 110.89 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.461 HH21 HD21 ' A' ' 440' ' ' LEU . 0.0 OUTLIER -52.12 -36.12 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 53.15 110.882 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -51.97 -35.95 47.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.903 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 450' ' ' HIS . . . . . 0.521 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 0.1 OUTLIER -82.37 -51.85 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.51 110.858 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -52.27 -54.58 29.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.854 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -51.98 -36.2 48.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 75.21 110.887 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 450' ' ' HIS . . . -51.79 -36.16 46.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.2 111.075 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -80.32 -45.95 16.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.862 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.52 -169.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.899 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.12 -65.79 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 60.34 111.122 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -150.69 -169.79 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 72.51 110.945 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -107.06 -76.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 75.11 110.913 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 63.84 63.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 44.03 110.919 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -177.37 140.4 4.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.759 . . . . 70.4 112.467 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -179.39 -176.24 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 74.2 110.911 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.55 105.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 65.12 110.881 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -159.92 -178.21 33.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 54.43 112.499 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -168.95 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.645 2.23 . . . . 72.11 112.375 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.78 54.89 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 63.41 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt 61.86 171.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 73.41 110.927 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 65.2 110.907 179.821 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.876 0.369 . . . . 74.43 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -136.03 -52.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 74.02 110.895 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . 54.84 89.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 50.42 111.065 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -156.9 118.05 3.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 75.44 111.091 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.92 170.35 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 61.04 110.848 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -170.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 74.35 110.876 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 346' ' ' THR . . . . . 0.481 HG22 ' CG ' ' B' ' 349' ' ' ASP . 0.2 OUTLIER 64.39 39.56 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 65.14 111.156 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 27.3 t -58.04 -36.73 73.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.887 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.37 -35.79 60.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 74.02 110.89 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 349' ' ' ASP . . . . . 0.481 ' CG ' HG22 ' B' ' 346' ' ' THR . 1.8 m-20 -73.78 -35.78 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 75.42 110.879 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -37.97 81.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 65.45 110.871 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -74.87 -33.62 62.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 64.45 110.837 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.419 HD23 ' CG ' ' B' ' 393' ' ' HIS . 1.4 mp -74.18 -33.24 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 63.21 110.956 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.56 -35.14 72.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 64.41 110.897 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -77.05 -38.32 52.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.871 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.554 HG23 ' HB1' ' B' ' 376' ' ' ALA . 60.8 mt -66.07 -40.81 88.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 75.43 111.156 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -72.05 -41.57 67.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.841 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.98 77.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.04 111.102 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -55.1 -51.22 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.901 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.432 HG22 HD12 ' B' ' 363' ' ' LEU . 42.7 mt -57.79 -33.53 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 62.43 111.16 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -62.59 -52.07 64.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 74.3 110.928 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -69.4 -30.28 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.2 110.907 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 14.3 m -76.06 -26.62 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.832 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.432 HD12 HG22 ' B' ' 359' ' ' ILE . 21.4 mt -94.11 26.72 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 45.15 110.957 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.1 171.3 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.925 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 0.975 HD11 HG22 ' A' ' 403' ' ' ILE . 5.7 tp -84.57 -39.7 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.33 111.101 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.401 ' N ' HG23 ' B' ' 365' ' ' ILE . 3.0 p30 -91.61 -32.97 15.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.879 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -105.01 36.31 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 65.1 110.904 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 406' ' ' PHE . 17.1 tp -56.0 107.5 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.24 110.907 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -135.08 76.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.891 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.442 HG12 ' CD1' ' A' ' 412' ' ' ILE . 5.6 m -51.98 -28.89 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 64.02 111.077 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.61 -38.5 54.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.888 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -75.95 -35.41 59.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 64.21 110.868 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.42 ' SG ' HG23 ' B' ' 359' ' ' ILE . 20.1 t -54.64 -59.89 4.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 61.02 110.901 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.5 -45.55 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 64.33 111.112 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.15 -37.55 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.554 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.98 -50.12 13.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 73.15 111.094 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 377' ' ' LEU . . . . . 0.424 HD11 HG23 ' A' ' 412' ' ' ILE . 29.4 mt -51.98 -34.31 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.959 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.95 -48.94 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 54.03 110.862 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -58.5 -50.55 73.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 62.51 110.897 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.655 HD13 ' O ' ' B' ' 380' ' ' LEU . 1.3 tm? -52.41 -37.43 56.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.924 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.19 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 71.22 111.108 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 8.4 t -79.96 -34.16 38.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 63.33 110.852 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.6 mt -65.37 123.94 20.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 71.02 110.918 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -77.76 73.24 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 65.43 110.944 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.96 141.24 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 70.11 111.087 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 386' ' ' THR . . . . . 0.43 HG23 ' H ' ' B' ' 389' ' ' GLN . 14.9 t -116.02 173.08 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 45.24 111.162 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -39.98 96.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.904 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.75 -50.32 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.95 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 389' ' ' GLN . . . . . 0.43 ' H ' HG23 ' B' ' 386' ' ' THR . 0.0 OUTLIER -73.25 -38.72 65.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.12 110.911 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -54.81 -48.43 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 62.03 111.065 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.99 -35.81 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.879 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -81.37 -35.63 30.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 54.25 110.895 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 393' ' ' HIS . . . . . 0.419 ' CG ' HD23 ' B' ' 352' ' ' LEU . 71.4 m80 -95.38 35.52 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.851 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 3.5 p -60.77 -37.42 81.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 54.13 111.117 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -46.39 81.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 74.34 110.902 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 44.3 ttp -55.25 -36.55 66.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.897 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.723 ' HA ' HD12 ' B' ' 400' ' ' LEU . 22.3 mt -70.13 -43.11 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.119 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 33.1 m -56.3 -36.62 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 55.43 111.122 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.0 m -67.83 -43.38 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 71.54 111.152 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' B' ' 397' ' ' ILE . 18.7 mt -53.1 -36.71 61.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.923 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -76.29 -28.69 57.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 60.31 110.859 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -75.55 -35.38 60.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 72.14 110.9 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.924 HG22 HD11 ' A' ' 365' ' ' ILE . 35.7 pt -73.35 -1.58 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 52.0 111.168 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -79.17 -34.35 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 71.35 110.865 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.413 HH21 HD23 ' A' ' 368' ' ' LEU . 0.0 OUTLIER -120.87 -18.15 7.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.896 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.515 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -41.16 121.94 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 70.24 110.864 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -177.8 138.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 62.2 110.917 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.05 134.51 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 71.22 111.095 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.1 t -71.36 172.02 10.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 64.22 110.865 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -72.18 -34.29 68.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.906 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.01 -41.84 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 73.1 111.145 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.43 ' CD1' HG12 ' A' ' 370' ' ' VAL . 97.9 mt -73.06 -49.96 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 71.34 111.128 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 36.6 mtm -55.62 -33.86 64.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.871 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.32 -53.3 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.881 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -59.66 -40.22 87.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.913 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.3 p -55.0 -46.54 75.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 61.13 110.869 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 25.0 m -58.18 -46.75 85.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 52.43 111.156 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 12.9 ttp -54.28 -41.81 69.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.898 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.732 HD22 HD12 ' A' ' 380' ' ' LEU . 51.6 mt -74.36 -45.07 49.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 43.52 110.888 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.563 ' CE1' HD13 ' B' ' 444' ' ' LEU . 39.4 t80 -55.56 -47.28 76.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.911 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -61.74 -39.65 92.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -55.04 -51.59 65.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 71.45 110.864 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.452 ' HB3' HD13 ' A' ' 397' ' ' ILE . 74.1 m-85 -65.91 -31.88 73.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 54.34 110.843 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -67.05 -35.0 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 71.03 110.922 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -64.77 -43.7 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 62.42 110.878 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.1 ptp -73.97 -31.79 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.866 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -71.96 -37.3 69.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 71.21 110.895 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.495 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.3 pp -85.42 -34.94 21.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 72.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.495 ' N ' HD12 ' B' ' 428' ' ' LEU . 98.9 t 57.49 94.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.44 111.115 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -111.25 107.67 2.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 42.01 112.486 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -85.16 100.81 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 62.22 110.912 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 77.27 -61.04 3.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 64.44 112.487 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.45 176.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 74.12 110.878 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.16 -169.6 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 63.33 110.871 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 6.2 m -107.24 74.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 65.41 111.073 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 16.0 mt -144.26 55.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 70.25 111.108 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.411 HG22 ' H ' ' B' ' 438' ' ' GLN . 0.2 OUTLIER 64.6 -178.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.13 111.114 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 438' ' ' GLN . . . . . 0.411 ' H ' HG22 ' B' ' 437' ' ' THR . 17.3 mt-30 66.69 96.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 54.42 110.922 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 6.6 m -145.93 66.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.101 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.56 179.14 2.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.895 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -92.64 -179.49 5.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 71.33 110.882 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.49 -38.92 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.923 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 8.5 t -77.88 -54.25 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 55.1 110.829 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 444' ' ' LEU . . . . . 0.563 HD13 ' CE1' ' B' ' 420' ' ' TYR . 45.4 mt -66.79 -36.02 81.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.22 110.949 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.81 -36.44 47.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.51 111.16 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.81 -60.7 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.849 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.77 -36.02 82.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 75.01 110.912 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -35.93 48.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.875 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -52.16 -36.04 50.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.934 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 450' ' ' HIS . . . . . 0.506 ' O ' ' HB3' ' B' ' 453' ' ' ALA . 0.1 OUTLIER -82.14 -52.36 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 65.3 110.878 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -52.21 -53.58 41.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 75.43 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.79 -35.89 57.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 65.55 110.864 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 453' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' B' ' 450' ' ' HIS . . . -51.5 -39.23 57.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 64.13 111.106 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -79.39 -44.35 21.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.861 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.81 -172.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 72.25 110.902 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.73 -66.41 0.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 63.12 111.13 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -179.14 164.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 73.2 110.881 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -86.88 -174.55 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.857 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -174.96 30.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 60.35 110.901 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -176.31 132.72 2.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.689 -0.767 . . . . 71.53 112.446 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -167.26 103.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 72.41 110.875 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.26 88.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.888 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -98.34 165.37 21.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.678 -0.772 . . . . 65.23 112.482 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -50.3 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 74.05 112.353 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -177.91 36.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 71.54 110.884 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt 63.36 167.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.872 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 61.23 110.919 179.868 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.895 0.379 . . . . 74.34 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -166.3 149.33 7.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.918 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -156.73 158.81 37.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 50.24 111.144 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -118.08 -176.73 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 74.12 111.09 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.75 75.94 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 73.0 110.834 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.8 153.32 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.32 110.893 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.32 108.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 73.11 111.193 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 15.4 m -52.24 -49.25 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 60.3 110.816 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.61 -38.44 64.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 71.15 110.862 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -73.43 -35.75 65.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.24 110.915 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.16 -36.58 79.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 64.41 110.876 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.491 HH11 HD22 ' A' ' 383' ' ' LEU . 8.5 ptp180 -77.57 -33.54 53.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 74.54 110.848 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 352' ' ' LEU . 18.9 mt -75.03 -40.74 60.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.892 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.07 -35.36 79.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.897 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -77.28 -35.33 55.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 75.43 110.857 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 26.8 mt -62.34 -42.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.114 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -72.11 -45.38 60.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.881 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.62 99.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 63.02 111.129 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -54.98 -42.37 72.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 64.34 110.903 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.542 HG22 HD12 ' A' ' 363' ' ' LEU . 38.8 mt -66.06 -34.19 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 73.32 111.153 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -58.79 -52.12 67.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.933 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -70.38 -33.58 71.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 61.12 110.895 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 9.6 p -74.66 -10.62 59.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 73.51 110.858 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.542 HD12 HG22 ' A' ' 359' ' ' ILE . 31.5 mt -113.23 26.44 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 63.44 110.926 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.79 169.76 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.884 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 0.997 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.29 -38.66 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 75.13 111.151 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -91.7 -31.96 15.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 72.25 110.858 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -109.76 36.35 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 65.54 110.864 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' B' ' 406' ' ' PHE . 18.7 tp -53.69 107.32 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 61.41 110.885 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -132.03 80.9 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 74.15 110.843 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' B' ' 412' ' ' ILE . 11.3 m -59.28 -27.16 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.32 111.125 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -51.72 -40.19 59.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 71.21 110.904 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -35.17 59.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.833 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 359' ' ' ILE . 13.3 t -53.42 -57.58 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 70.04 110.858 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.58 -49.69 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 55.44 111.147 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.89 -34.17 39.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.9 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.87 -53.96 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.067 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.7 mt -52.09 -42.7 63.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 72.3 110.907 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -48.97 77.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 44.25 110.86 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -44.95 82.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 34.12 110.875 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.743 HD12 HD12 ' B' ' 419' ' ' LEU . 0.9 OUTLIER -51.97 -54.16 33.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 52.31 110.898 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.08 -33.94 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 53.33 111.108 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 58.0 m -71.97 -36.85 69.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.818 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.491 HD22 HH11 ' A' ' 351' ' ' ARG . 61.2 mt -69.78 116.29 10.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 63.21 110.916 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -75.23 72.12 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.02 110.898 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -83.12 143.56 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 44.12 111.118 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.3 t -104.91 170.01 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 72.12 111.117 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.65 -37.15 58.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.857 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -51.89 -57.93 7.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 70.25 110.903 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -61.16 -35.5 77.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 70.44 110.96 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.97 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.099 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.32 -38.44 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.25 110.914 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -85.32 -33.45 22.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 71.12 110.936 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -96.39 35.54 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.813 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.76 ' HA ' HD12 ' A' ' 397' ' ' ILE . 1.4 p -61.67 -35.12 77.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 63.35 111.161 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -46.03 87.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 65.31 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.418 ' HE3' HD21 ' A' ' 380' ' ' LEU . 48.4 ttp -55.3 -37.51 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 74.31 110.91 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.804 ' HA ' HD12 ' A' ' 400' ' ' LEU . 5.9 mt -70.26 -42.99 78.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 64.34 111.1 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 85.9 m -54.41 -40.17 67.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 71.25 111.081 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 65.9 m -64.93 -42.3 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 64.32 111.176 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 397' ' ' ILE . 16.1 mt -52.46 -36.19 54.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.924 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -28.84 57.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.05 110.887 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -75.88 -36.0 59.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 71.01 110.886 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 0.986 HG22 HD11 ' B' ' 365' ' ' ILE . 37.3 pt -72.97 -1.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 75.44 111.153 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.89 -34.3 44.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 64.01 110.892 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 -19.4 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.903 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.492 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -40.25 118.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.887 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.87 134.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.921 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.402 HG22 ' HB ' ' A' ' 412' ' ' ILE . 9.9 p -60.6 134.61 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 43.23 111.123 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 22.9 t -69.94 172.38 7.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.88 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -73.68 -34.64 64.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.918 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 411' ' ' VAL . . . . . 0.483 HG22 ' HD2' ' A' ' 415' ' ' LYS . 5.9 p -54.82 -39.76 49.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 73.11 111.118 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.641 HD11 ' HB ' ' B' ' 370' ' ' VAL . 89.2 mt -74.2 -44.52 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.31 111.145 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.2 mtm -61.1 -42.82 99.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 65.12 110.883 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.98 -33.66 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.901 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.483 ' HD2' HG22 ' A' ' 411' ' ' VAL . 26.8 mttp -74.11 -34.85 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 75.21 110.905 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.9 p -62.17 -47.37 84.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 71.33 110.892 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 46.1 m -52.42 -42.9 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 73.02 111.105 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 6.1 tpt -51.69 -52.35 48.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 71.21 110.884 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.778 HD12 HD12 ' B' ' 380' ' ' LEU . 3.5 mm? -69.31 -42.35 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 71.2 110.944 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -55.04 -47.8 74.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 74.23 110.93 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -71.84 -35.67 69.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.92 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -59.02 -45.49 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.914 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.403 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 27.2 m-85 -75.37 -36.16 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 424' ' ' LYS . . . . . 0.703 ' HG2' HD23 ' A' ' 428' ' ' LEU . 5.1 ttpm? -66.69 -35.13 79.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 63.42 110.881 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.401 ' HA ' HD21 ' A' ' 428' ' ' LEU . 0.9 OUTLIER -57.68 -35.58 70.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 44.24 110.87 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 53.8 mtm -85.95 -32.66 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.848 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.501 ' HA ' ' HE1' ' B' ' 387' ' ' MET . 3.2 m-30 -70.0 -35.47 74.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 65.35 110.89 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.703 HD23 ' HG2' ' A' ' 424' ' ' LYS . 4.5 pp -80.37 -34.67 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.896 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.534 ' N ' HD12 ' A' ' 428' ' ' LEU . 98.0 t 56.76 84.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 70.12 111.153 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 430' ' ' GLY . . . . . 0.444 ' N ' HD12 ' A' ' 428' ' ' LEU . . . 66.44 147.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 25.3 112.469 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -51.91 157.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 75.24 110.878 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -56.61 -179.32 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 64.41 112.483 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.99 -172.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 72.32 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.94 96.43 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 75.02 110.88 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 23.2 m -150.69 176.31 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 45.03 111.099 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 3.8 mp -87.39 -75.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 70.31 111.135 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.38 170.19 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 73.3 111.103 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -158.16 99.3 1.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.899 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 27.0 m -75.1 -179.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 34.11 111.092 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.604 HD23 ' HE3' ' A' ' 424' ' ' LYS . 5.4 mt -87.74 -72.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 61.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ASN . . . . . 0.491 ' OD1' HD12 ' A' ' 444' ' ' LEU . 0.3 OUTLIER -102.21 -172.33 2.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 64.43 110.917 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -116.16 -68.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.867 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -55.02 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 75.3 110.872 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 444' ' ' LEU . . . . . 0.539 HD22 ' NH2' ' A' ' 448' ' ' ARG . 1.5 mt -65.51 -34.58 78.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 75.3 110.934 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.18 -35.1 34.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 72.32 111.093 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.07 -60.36 3.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 72.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -47.16 62.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 64.54 110.931 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.539 ' NH2' HD22 ' A' ' 444' ' ' LEU . 55.3 mtt-85 -51.96 -35.63 46.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 53.15 110.828 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.78 -35.95 45.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.923 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -36.04 74.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.856 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -76.07 -57.19 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.912 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -36.27 49.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.912 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.56 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 74.2 111.08 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -62.32 -44.56 96.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.901 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -155.78 144.4 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.904 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.3 t -175.64 167.26 3.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 60.34 111.125 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.99 -73.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 72.51 110.89 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.82 149.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 75.11 110.87 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -177.15 153.89 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 44.03 110.956 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 145.16 156.04 6.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 70.4 112.469 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -136.78 164.48 28.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 74.2 110.918 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -79.43 172.09 14.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 65.12 110.901 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -170.69 165.72 38.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 54.43 112.483 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 177.16 5.84 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 72.11 112.346 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -92.59 -169.58 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 63.41 110.896 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.4 -177.45 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.873 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 65.2 110.909 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.825 0.345 . . . . 74.43 110.864 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -166.35 149.35 7.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.911 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -156.67 158.75 37.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 50.42 111.107 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -117.93 -176.51 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 75.44 111.063 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.84 75.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 61.04 110.891 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.47 153.39 50.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 74.35 110.874 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.41 108.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 65.14 111.13 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 15.4 m -52.42 -49.94 63.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 65.44 110.877 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.14 -37.75 62.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 74.02 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -73.4 -35.53 65.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.899 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.33 -37.92 77.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 65.45 110.82 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -74.94 -37.09 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 64.45 110.847 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.628 ' HA ' HD12 ' B' ' 355' ' ' ILE . 29.6 mt -71.51 -47.57 54.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 63.21 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.85 -30.93 64.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.41 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -76.72 -40.86 47.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.42 110.822 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.7 mt -60.51 -40.27 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 75.43 111.124 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -71.88 -50.12 32.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.839 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.1 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 75.04 111.098 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -54.94 -42.26 72.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.929 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.534 HG22 HD12 ' B' ' 363' ' ' LEU . 30.6 mt -65.69 -34.93 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 62.43 111.131 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -58.15 -52.06 67.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 74.3 110.892 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -70.32 -33.61 71.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.2 110.892 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.5 p -74.62 -10.55 59.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.871 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.534 HD12 HG22 ' B' ' 359' ' ' ILE . 32.0 mt -113.5 26.34 10.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 45.15 110.924 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.78 169.82 13.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.912 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 0.986 HD11 HG22 ' A' ' 403' ' ' ILE . 5.8 tp -84.33 -38.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.164 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.87 -31.96 15.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 64.14 110.882 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -109.7 36.3 3.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 65.1 110.909 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' A' ' 406' ' ' PHE . 18.4 tp -53.71 107.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -131.92 80.76 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.869 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.641 ' HB ' HD11 ' A' ' 412' ' ' ILE . 11.5 m -59.12 -27.3 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 64.02 111.13 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -51.72 -40.28 59.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.867 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -34.81 59.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 64.21 110.862 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.422 ' SG ' HG23 ' B' ' 359' ' ' ILE . 12.2 t -53.42 -57.84 9.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 61.02 110.903 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.46 -48.7 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 64.33 111.147 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.79 -35.3 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.495 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.59 -53.54 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 73.15 111.106 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 4.7 mt -52.17 -42.64 63.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.934 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -47.38 84.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 54.03 110.849 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.5 -45.25 85.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 62.51 110.886 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.778 HD12 HD12 ' A' ' 419' ' ' LEU . 0.8 OUTLIER -52.21 -54.46 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.925 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.16 -33.94 65.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 71.22 111.131 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 58.1 m -72.84 -36.57 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 63.33 110.84 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 63.8 mt -70.08 116.52 10.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 71.02 110.915 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -75.63 71.35 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 65.43 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -82.96 142.56 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 70.11 111.158 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.4 t -103.11 170.76 7.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 45.24 111.185 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 387' ' ' MET . . . . . 0.501 ' HE1' ' HA ' ' A' ' 427' ' ' PHE . 0.5 OUTLIER -54.07 -36.95 63.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.31 110.879 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -51.85 -54.68 26.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.94 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.12 -35.99 82.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.48 94.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 62.03 111.104 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.39 -35.98 41.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.928 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -87.29 -33.62 19.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 54.25 110.917 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -98.24 35.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.865 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.777 ' HA ' HD12 ' B' ' 397' ' ' ILE . 1.3 p -61.02 -35.55 77.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 54.13 111.14 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -45.37 86.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.864 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 48.0 ttp -55.43 -38.03 68.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.819 ' HA ' HD12 ' B' ' 400' ' ' LEU . 6.2 mt -69.45 -43.06 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 71.44 111.153 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 85.5 m -54.49 -40.36 68.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 55.43 111.121 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.2 m -64.81 -42.34 95.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 71.54 111.129 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' B' ' 397' ' ' ILE . 16.4 mt -52.49 -36.38 54.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.903 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -28.87 58.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 60.31 110.927 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -75.84 -36.01 59.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.871 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.997 HG22 HD11 ' A' ' 365' ' ' ILE . 37.4 pt -72.89 -1.66 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 52.0 111.182 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -78.85 -34.4 45.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.862 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -19.41 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.882 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.499 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.35 118.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.24 110.859 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -174.99 134.34 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 62.2 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.402 HG22 ' HB ' ' B' ' 412' ' ' ILE . 9.9 p -60.17 134.66 25.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 71.22 111.132 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 22.7 t -70.07 172.19 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 64.22 110.828 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -73.31 -35.13 66.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.953 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 411' ' ' VAL . . . . . 0.484 HG22 ' HD2' ' B' ' 415' ' ' LYS . 6.0 p -54.41 -39.7 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 73.1 111.163 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' A' ' 370' ' ' VAL . 89.4 mt -74.19 -44.57 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 71.34 111.137 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.2 mtm -60.99 -42.66 98.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.872 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.11 -33.77 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.93 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 415' ' ' LYS . . . . . 0.484 ' HD2' HG22 ' B' ' 411' ' ' VAL . 27.0 mttp -74.07 -34.59 64.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.911 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.6 p -62.42 -47.43 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 61.13 110.846 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 47.0 m -52.45 -42.62 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 52.43 111.137 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 6.0 tpt -51.82 -52.3 50.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.891 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.743 HD12 HD12 ' A' ' 380' ' ' LEU . 3.5 mm? -69.47 -42.36 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 43.52 110.873 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -54.95 -48.1 73.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.923 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -71.43 -36.61 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 72.53 110.877 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -58.49 -45.18 89.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 71.45 110.901 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -75.27 -37.19 61.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 54.34 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 424' ' ' LYS . . . . . 0.737 ' HG2' HD23 ' B' ' 428' ' ' LEU . 5.3 ttpm? -65.61 -34.98 79.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 71.03 110.92 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 425' ' ' ASN . . . . . 0.414 ' HA ' HD21 ' B' ' 428' ' ' LEU . 0.9 OUTLIER -56.86 -35.16 68.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.42 110.903 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 54.5 mtm -85.97 -33.39 21.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.908 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.95 -35.89 77.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.872 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.737 HD23 ' HG2' ' B' ' 424' ' ' LYS . 4.6 pp -80.08 -35.3 37.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 72.0 110.93 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.532 ' N ' HD12 ' B' ' 428' ' ' LEU . 97.9 t 57.96 83.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 74.44 111.126 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 430' ' ' GLY . . . . . 0.433 ' N ' HD12 ' B' ' 428' ' ' LEU . . . 66.4 147.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 42.01 112.468 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -51.91 155.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 62.22 110.87 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -55.51 176.28 0.69 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 64.44 112.485 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.99 -176.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 74.12 110.902 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.76 90.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 63.33 110.819 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 24.0 m -149.9 169.62 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 65.41 111.143 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.42 ' H ' HD12 ' B' ' 436' ' ' ILE . 1.8 mp -78.22 159.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 70.25 111.133 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.417 ' N ' HG22 ' B' ' 436' ' ' ILE . 0.2 OUTLIER 52.27 -171.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 73.13 111.134 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -169.57 114.04 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 54.42 110.892 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 26.9 m -76.76 -176.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.11 111.094 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 440' ' ' LEU . . . . . 0.567 HD23 ' HE3' ' B' ' 424' ' ' LYS . 5.6 mt -89.29 -74.44 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 73.25 110.902 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 441' ' ' ASN . . . . . 0.605 ' ND2' HD12 ' B' ' 444' ' ' LEU . 0.7 OUTLIER -101.91 -171.93 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.91 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -116.1 -68.23 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.925 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -55.03 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 55.1 110.893 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 444' ' ' LEU . . . . . 0.605 HD12 ' ND2' ' B' ' 441' ' ' ASN . 1.6 mt -65.42 -34.71 78.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 73.22 110.939 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.13 -35.08 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 72.51 111.077 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.08 -60.32 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.877 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -47.26 62.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.01 110.88 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 448' ' ' ARG . . . . . 0.56 ' NH2' HD22 ' B' ' 444' ' ' LEU . 54.7 mtt-85 -51.97 -35.55 46.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.926 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.69 -35.93 44.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 73.21 110.916 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -35.97 74.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 65.3 110.866 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -76.13 -57.17 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.85 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -36.44 49.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 65.55 110.923 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.59 69.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 64.13 111.089 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -62.21 -44.65 96.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.901 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -155.72 144.5 20.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 72.25 110.87 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 15.3 t -175.59 167.42 3.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 63.12 111.128 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.15 -73.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 73.2 110.868 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.84 149.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.44 110.838 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -177.42 153.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 60.35 110.949 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 145.52 156.85 7.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 71.53 112.496 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -137.47 165.95 25.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 72.41 110.883 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -77.78 173.69 11.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.856 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -172.79 175.88 45.74 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 65.23 112.456 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -170.83 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.719 2.28 . . . . 74.05 112.319 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -105.57 -75.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.54 110.874 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.36 154.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 72.33 110.903 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 61.23 110.912 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.91 0.386 . . . . 74.34 110.885 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -100.37 -174.14 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.04 110.876 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -163.39 45.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 50.24 111.06 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . 60.49 175.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 74.12 111.073 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.07 -63.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.0 110.888 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 56.21 -174.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.18 145.0 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 73.11 111.14 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -48.24 82.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 60.3 110.856 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.3 ttm -57.15 -36.68 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 71.15 110.87 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -73.74 -35.65 65.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.24 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -38.34 84.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 64.41 110.861 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -74.71 -33.49 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.887 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.12 -32.86 63.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.887 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.6 -34.72 72.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.923 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -77.32 -36.02 54.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.882 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 31.7 mt -60.99 -43.01 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.11 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -72.59 -45.37 59.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.889 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.07 93.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 63.02 111.068 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.82 -45.09 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 64.34 110.911 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.45 -34.17 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.117 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -52.74 -52.23 57.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 71.35 110.897 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -75.04 -26.66 59.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 61.12 110.846 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.4 p -79.03 -2.73 41.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.51 110.904 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 43.8 mt -121.5 25.86 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 63.44 110.938 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -69.18 169.97 11.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.894 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 1.039 HD11 HG22 ' B' ' 403' ' ' ILE . 6.1 tp -84.32 -39.8 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.13 111.129 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.412 ' N ' HG23 ' A' ' 365' ' ' ILE . 5.0 p-10 -92.83 -31.41 15.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.881 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -111.26 36.51 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 65.54 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 21.6 tp -53.28 107.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 61.41 110.905 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -125.71 74.29 1.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 74.15 110.875 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.774 ' HB ' HD11 ' B' ' 412' ' ' ILE . 16.6 m -57.86 -28.59 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 73.32 111.122 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -52.09 -39.96 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 71.21 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -33.23 60.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.871 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 45.7 t -53.1 -58.98 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 70.04 110.883 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.72 -47.48 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 55.44 111.121 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.57 -35.38 41.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.11 110.925 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.0 -53.91 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 74.24 111.112 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 18.4 mt -52.23 -36.03 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.928 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -62.84 -46.08 89.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 44.25 110.897 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -46.4 90.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 34.12 110.902 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.546 ' O ' HD13 ' A' ' 380' ' ' LEU . 1.0 OUTLIER -52.59 -43.89 65.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 52.31 110.913 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -61.66 -34.51 75.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 53.33 111.063 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -36.01 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.853 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 63.5 mt -68.06 109.32 3.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 63.21 110.866 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -77.4 61.64 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.91 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -70.19 140.81 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 44.12 111.137 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -92.89 173.15 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.12 111.146 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -35.51 76.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.843 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -55.12 -56.46 19.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 70.25 110.903 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.43 -39.35 65.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.81 -51.28 68.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.34 111.091 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 391' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 394' ' ' THR . 1.4 mt-30 -52.36 -37.8 57.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 75.25 110.891 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -66.47 -33.98 76.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.892 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -94.91 35.68 1.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 70.14 110.861 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 391' ' ' GLN . 0.7 OUTLIER -51.44 -34.56 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 63.35 111.131 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.57 -48.45 74.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 65.31 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 24.1 ttp -55.28 -56.23 22.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.31 110.884 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.1 mt -52.24 -43.09 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 64.34 111.125 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 56.7 m -55.53 -39.44 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 71.25 111.121 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 90.5 m -68.14 -39.07 82.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 64.32 111.077 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 397' ' ' ILE . 27.4 mt -54.6 -36.95 64.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 73.43 110.866 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -76.64 -28.74 56.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 75.05 110.875 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -75.68 -33.8 60.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.01 110.883 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.017 HG22 HD11 ' B' ' 365' ' ' ILE . 36.4 pt -75.14 -2.27 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 75.44 111.187 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -77.66 -34.07 53.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 64.01 110.869 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.1 -14.31 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.44 110.839 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.65 ' CE2' HD13 ' B' ' 368' ' ' LEU . 11.5 t80 -45.56 108.55 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 75.04 110.876 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -166.31 139.58 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.21 110.901 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 6.1 p -61.21 131.14 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 43.23 111.125 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 16.8 t -61.33 177.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.868 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.22 -40.2 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.913 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.1 -39.87 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.11 111.077 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.696 HD11 ' HB ' ' B' ' 370' ' ' VAL . 96.0 mt -64.25 -54.48 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.31 111.122 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 17.7 ptp -62.3 -31.47 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 65.12 110.892 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -74.95 -37.69 61.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 73.25 110.898 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -73.96 -38.73 64.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.868 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 416' ' ' SER . . . . . 0.402 ' HB2' HD11 ' B' ' 403' ' ' ILE . 63.2 p -55.08 -48.76 73.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.856 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 417' ' ' THR . . . . . 0.596 HG22 ' OD1' ' A' ' 421' ' ' ASN . 57.9 m -52.81 -42.67 65.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 73.02 111.152 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -51.08 64.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 71.21 110.819 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.91 -36.91 72.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -60.08 -42.7 95.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.927 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.596 ' OD1' HG22 ' A' ' 417' ' ' THR . 23.2 m120 -72.25 -41.41 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 73.14 110.921 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.65 -51.59 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.884 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -69.7 -36.83 76.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -60.42 -40.82 92.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.452 ' HA ' HD23 ' A' ' 428' ' ' LEU . 5.9 t-20 -58.41 -34.45 70.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 44.24 110.934 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 38.2 mtm -85.47 -34.71 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.876 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.537 ' CZ ' HD13 ' B' ' 397' ' ' ILE . 2.8 m-85 -61.35 -37.05 81.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.888 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 425' ' ' ASN . 1.6 pp -71.56 -33.01 68.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 74.31 110.934 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 89.7 t 55.31 90.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 70.12 111.131 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -135.72 -75.35 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 25.3 112.487 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 53.57 78.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 75.24 110.865 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -133.15 131.38 6.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 64.41 112.464 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.03 -78.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 72.32 110.834 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 1.5 m -174.18 122.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 75.02 110.858 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 17.6 m -58.97 130.25 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 45.03 111.126 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.6 -77.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 70.31 111.109 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 51.0 p -148.7 -173.58 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 73.3 111.174 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 54.06 90.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 73.44 110.889 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 22.0 t -107.2 117.39 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 34.11 111.126 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 11.0 mp -107.75 137.03 46.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 61.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -111.08 -176.12 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 64.43 110.875 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -116.16 -67.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 73.11 110.888 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 5.1 m -66.69 -55.07 16.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.3 110.863 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 46.5 mt -65.12 -35.69 81.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 75.3 110.888 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.56 -36.66 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 72.32 111.119 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.32 -60.65 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 72.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -61.1 -37.28 82.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 64.54 110.943 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -63.57 -63.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 53.15 110.893 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.48 -36.09 63.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.86 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.15 -59.62 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.848 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -71.99 -43.18 65.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 75.33 110.874 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.46 -36.14 54.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 75.21 110.933 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.88 -35.53 45.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 74.2 111.109 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -97.58 -38.54 9.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.864 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.11 -170.2 2.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.93 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.41 -173.5 4.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 60.34 111.161 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.22 133.95 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 72.51 110.884 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -148.66 162.45 39.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.842 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -170.63 171.39 6.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 44.03 110.924 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 174.25 116.43 0.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 70.4 112.462 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.94 151.74 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 74.2 110.952 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -138.87 35.7 2.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 65.12 110.915 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 60.84 166.66 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 54.43 112.486 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 122.56 9.24 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.722 2.281 . . . . 72.11 112.393 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.88 -53.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 63.41 110.853 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -76.44 176.59 8.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.945 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 1.5 mttm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 65.2 110.909 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.892 0.377 . . . . 74.43 110.846 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -100.57 -174.18 2.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 74.02 110.878 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -163.29 45.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 50.42 111.065 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . 60.53 175.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.058 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.13 -63.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 61.04 110.859 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 56.24 -174.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.35 110.863 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.54 145.83 34.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 65.14 111.188 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -48.62 79.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 65.44 110.865 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.3 ttm -56.67 -36.89 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 74.02 110.911 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -73.66 -34.86 65.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 75.42 110.823 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -38.5 80.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 65.45 110.829 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -74.28 -34.78 63.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 64.45 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.53 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.0 OUTLIER -70.64 -47.44 60.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 63.21 110.868 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -59.0 -30.41 67.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 64.41 110.886 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -76.14 -42.03 48.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.42 110.931 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.9 mt -59.71 -39.33 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.43 111.116 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -72.09 -50.76 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.846 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.08 88.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.04 111.11 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.89 -44.05 73.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.888 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.3 mt -68.69 -34.53 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 62.43 111.181 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -51.8 -52.05 51.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.3 110.876 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -75.07 -26.83 59.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.847 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -77.5 -4.01 43.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.842 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 53.9 mt -121.2 25.92 9.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 45.15 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.04 170.42 8.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.902 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.017 HD11 HG22 ' A' ' 403' ' ' ILE . 6.1 tp -84.98 -39.53 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.146 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.404 ' N ' HG23 ' B' ' 365' ' ' ILE . 4.9 p-10 -93.01 -31.33 14.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 64.14 110.863 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -111.48 36.67 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 65.1 110.891 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.65 HD13 ' CE2' ' A' ' 406' ' ' PHE . 20.6 tp -53.12 107.11 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 73.24 110.915 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -126.8 77.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.878 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.696 ' HB ' HD11 ' A' ' 412' ' ' ILE . 8.1 m -59.99 -27.04 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.02 111.091 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -51.87 -39.97 59.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.879 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -33.25 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 64.21 110.872 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 47.6 t -53.19 -59.11 4.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 61.02 110.864 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.8 mt -53.73 -47.13 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 64.33 111.191 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.88 -35.65 45.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 75.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.502 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.89 -53.55 7.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 73.15 111.074 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.1 -35.82 49.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.49 -42.7 95.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 54.03 110.886 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -47.89 80.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 62.51 110.896 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.501 HD13 ' O ' ' B' ' 380' ' ' LEU . 0.8 OUTLIER -52.4 -45.85 66.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 72.31 110.9 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.66 72.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 71.22 111.086 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -36.21 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 63.33 110.859 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.14 109.4 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 71.02 110.922 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -77.37 61.85 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 65.43 110.91 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -70.34 140.31 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 70.11 111.149 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -92.25 173.1 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 45.24 111.117 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -35.72 77.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.847 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -55.06 -55.89 25.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.91 -38.27 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.919 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.58 -51.1 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 62.03 111.082 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 391' ' ' GLN . . . . . 0.58 ' O ' HG23 ' B' ' 394' ' ' THR . 1.4 mt-30 -52.7 -36.62 57.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 71.43 110.883 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -66.58 -34.98 79.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 54.25 110.891 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -95.09 35.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.872 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.58 HG23 ' O ' ' B' ' 391' ' ' GLN . 0.7 OUTLIER -51.73 -34.86 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 54.13 111.12 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.42 -47.09 76.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.34 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 26.6 ttp -55.9 -56.64 18.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.859 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.78 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.0 mt -51.81 -43.11 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 71.44 111.114 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 56.1 m -55.43 -38.17 68.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 55.43 111.128 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 89.5 m -69.62 -39.58 77.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 71.54 111.128 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.78 HD12 ' HA ' ' B' ' 397' ' ' ILE . 22.9 mt -53.99 -36.15 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.953 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -76.53 -29.07 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 60.31 110.885 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -75.48 -34.42 60.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.14 110.944 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 1.039 HG22 HD11 ' A' ' 365' ' ' ILE . 38.9 pt -74.92 -1.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 52.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -82.55 -32.3 28.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 71.35 110.871 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.88 -20.2 8.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 65.42 110.925 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.466 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -41.57 118.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 70.24 110.89 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -175.28 140.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 62.2 110.921 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.93 127.66 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 71.22 111.124 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 14.8 t -58.45 170.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 64.22 110.819 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.03 -35.3 76.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 73.33 110.887 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.5 p -60.04 -39.71 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.1 111.093 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.774 HD11 ' HB ' ' A' ' 370' ' ' VAL . 80.9 mt -64.2 -54.13 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.34 111.097 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.2 ptp -64.61 -31.62 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.878 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.39 -40.52 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.867 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -72.78 -38.35 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.903 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.434 ' HB2' HD11 ' A' ' 403' ' ' ILE . 60.7 p -55.09 -49.67 71.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 61.13 110.871 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 90.6 m -52.68 -42.5 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 52.43 111.136 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -51.99 61.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 74.22 110.894 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 66.4 mt -69.99 -38.29 75.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 43.52 110.921 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -57.99 -44.57 87.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 75.05 110.939 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.01 -41.01 71.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 72.53 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -51.04 64.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.863 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -70.99 -37.07 72.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 54.34 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -59.87 -40.66 89.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 71.03 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 425' ' ' ASN . . . . . 0.44 ' HA ' HD23 ' B' ' 428' ' ' LEU . 5.9 t-20 -58.43 -34.41 70.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 62.42 110.878 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.4 mtm -85.99 -33.97 20.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.861 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 427' ' ' PHE . . . . . 0.603 ' CZ ' HD13 ' A' ' 397' ' ' ILE . 2.9 m-85 -61.8 -37.19 83.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 71.21 110.874 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' B' ' 425' ' ' ASN . 1.8 pp -71.3 -33.16 69.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 72.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 91.5 t 55.07 88.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.115 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -132.24 -73.23 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 42.01 112.487 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 58.35 96.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 62.22 110.866 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -113.43 -145.46 9.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 64.44 112.48 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.39 -61.4 2.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.771 0.319 . . . . 74.12 110.815 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 434' ' ' SER . . . . . 0.573 ' O ' HG23 ' B' ' 436' ' ' ILE . 1.3 m -154.94 142.72 19.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 63.33 110.864 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 16.3 m -51.34 121.74 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 65.41 111.094 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.573 HG23 ' O ' ' B' ' 434' ' ' SER . 2.8 pt -133.94 -174.12 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 70.25 111.186 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 68.7 p -79.95 -177.59 6.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.13 111.153 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 63.43 85.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 54.42 110.891 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.06 117.56 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.11 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 440' ' ' LEU . . . . . 0.433 ' N ' HD22 ' B' ' 440' ' ' LEU . 1.7 mm? -107.39 137.46 45.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 73.25 110.86 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -111.02 -175.52 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.851 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -116.17 -68.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.875 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 5.0 m -66.86 -55.03 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 55.1 110.843 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 46.3 mt -65.13 -35.54 81.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 73.22 110.886 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.6 -36.64 46.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.51 111.092 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.53 -60.63 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.872 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.78 -37.83 83.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.01 110.911 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -63.21 -63.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.852 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.68 -36.49 64.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.943 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -59.55 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 65.3 110.841 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -71.76 -43.36 65.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.854 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -36.13 53.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 65.55 110.905 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.67 -36.07 44.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 64.13 111.074 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -97.09 -38.77 9.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.874 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -169.86 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 72.25 110.917 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -161.17 -176.22 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 63.12 111.124 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.93 149.6 23.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 73.2 110.884 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -160.87 163.33 32.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 72.44 110.835 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -172.96 171.78 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.453 . . . . 60.35 110.894 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 172.67 114.8 0.35 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 71.53 112.481 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.52 151.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 72.41 110.912 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -138.97 35.81 2.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 72.34 110.945 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 60.91 166.66 0.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 65.23 112.493 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 122.58 9.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 74.05 112.338 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -172.89 -53.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 71.54 110.898 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -76.49 176.53 8.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 1.5 mttm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 61.23 110.926 179.86 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.868 0.366 . . . . 74.34 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -140.65 152.31 45.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 73.04 110.893 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -171.08 176.46 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 50.24 111.066 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -159.31 -74.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.12 111.093 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 13.7 m 60.62 97.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -143.93 168.87 18.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 71.32 110.94 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.39 175.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 73.11 111.11 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -60.46 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 60.3 110.845 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -39.05 64.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 71.15 110.898 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.34 -34.72 65.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.903 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 8.6 t -66.47 -39.7 88.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 64.41 110.871 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -33.36 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.904 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.609 HD23 ' CG ' ' A' ' 393' ' ' HIS . 0.9 OUTLIER -70.45 -47.64 59.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 73.52 110.876 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -57.6 -30.94 65.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.902 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -77.43 -42.15 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.889 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.525 HG23 ' HB1' ' A' ' 376' ' ' ALA . 19.3 mt -59.41 -41.67 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.079 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -72.09 -49.15 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 71.44 110.865 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.45 93.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 63.02 111.103 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.82 -54.03 47.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 64.34 110.842 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.413 HG22 HD12 ' A' ' 363' ' ' LEU . 44.1 mt -56.26 -33.81 38.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.32 111.112 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -61.91 -52.21 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.877 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.69 -31.19 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 61.12 110.901 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 16.3 m -74.48 -26.72 60.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 73.51 110.854 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.413 HD12 HG22 ' A' ' 359' ' ' ILE . 21.2 mt -93.96 26.71 3.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.936 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.98 171.03 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.869 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 0.947 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.43 -39.14 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.13 111.143 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -92.17 -32.09 15.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 72.25 110.856 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -105.96 36.33 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 65.54 110.876 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' B' ' 406' ' ' PHE . 17.5 tp -55.96 107.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 61.41 110.946 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.83 75.68 1.59 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.239 -0.437 . . . . 74.15 110.848 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.544 ' O ' HD12 ' A' ' 374' ' ' ILE . 5.9 m -51.56 -28.95 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 73.32 111.152 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -51.75 -38.29 54.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 71.21 110.884 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -76.11 -35.33 59.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.85 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.401 ' SG ' HG23 ' A' ' 359' ' ' ILE . 25.9 t -54.84 -59.51 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 70.04 110.851 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 374' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 370' ' ' VAL . 2.7 mp -53.28 -46.16 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 55.44 111.131 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.77 -36.66 48.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 74.11 110.935 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.525 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -77.09 -51.51 10.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 74.24 111.096 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.41 HD11 HG23 ' B' ' 412' ' ' ILE . 22.1 mt -51.88 -35.42 45.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 72.3 110.92 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -61.7 -46.67 88.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 44.25 110.875 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -61.86 -47.28 85.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 34.12 110.84 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.786 HD12 HD22 ' B' ' 419' ' ' LEU . 1.5 tm? -52.41 -45.15 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 52.31 110.935 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -64.0 -34.66 78.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 53.33 111.106 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -36.28 63.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 74.33 110.863 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.44 116.1 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 63.21 110.911 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.21 62.48 2.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 74.02 110.903 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.26 138.81 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 44.12 111.133 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -98.85 173.82 6.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 72.12 111.126 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.19 -38.37 79.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 74.23 110.919 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -55.18 -56.96 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 70.25 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -67.07 -38.82 86.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.928 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.98 -45.11 91.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 73.34 111.114 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 391' ' ' GLN . . . . . 0.593 ' O ' HG23 ' A' ' 394' ' ' THR . 3.1 mt-30 -51.84 -36.13 47.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.876 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -75.76 -35.67 60.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.912 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.609 ' CG ' HD23 ' A' ' 352' ' ' LEU . 75.9 m80 -95.5 35.51 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 70.14 110.904 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.804 ' HA ' HD12 ' A' ' 397' ' ' ILE . 2.8 p -56.8 -36.66 70.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 63.35 111.217 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -46.89 81.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 65.31 110.896 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -55.43 -36.1 66.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.882 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 394' ' ' THR . 10.1 mt -69.97 -39.89 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 64.34 111.14 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 55.3 m -58.51 -42.82 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 71.25 111.167 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -61.96 -38.46 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 64.32 111.153 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 397' ' ' ILE . 21.4 mt -56.79 -35.89 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.937 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -76.09 -28.59 57.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.908 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -75.47 -35.6 60.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 71.01 110.856 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 0.972 HG22 HD11 ' B' ' 365' ' ' ILE . 35.5 pt -73.29 -1.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.44 111.146 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -79.0 -34.43 44.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 64.01 110.867 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.14 -18.81 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.867 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.486 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.2 OUTLIER -40.8 118.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.04 110.865 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -174.56 135.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.917 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.49 132.86 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 43.23 111.11 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 30.1 t -69.7 172.77 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.886 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.25 -33.74 65.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 74.23 110.918 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 411' ' ' VAL . . . . . 0.409 HG13 HG13 ' A' ' 412' ' ' ILE . 4.3 p -53.13 -41.81 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.11 111.122 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.446 HD11 ' HB ' ' B' ' 370' ' ' VAL . 96.6 mt -73.72 -48.87 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 74.31 111.176 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 12.7 mtm -56.14 -34.23 65.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 65.12 110.883 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.16 -53.13 13.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.931 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -59.93 -40.95 90.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.907 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 93.1 p -54.94 -43.34 73.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.905 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 16.9 m -59.25 -52.78 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 73.02 111.185 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -42.5 41.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.904 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.718 HD22 HD12 ' B' ' 380' ' ' LEU . 55.2 mt -75.35 -35.15 61.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.901 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -58.92 -63.28 1.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.959 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -61.15 -33.39 73.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.14 110.893 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -53.06 -45.77 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.905 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.509 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 47.7 m-85 -75.36 -49.91 17.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 74.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -52.08 -37.99 55.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 63.42 110.894 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.513 ' O ' HG12 ' A' ' 429' ' ' VAL . 22.0 t-20 -51.9 -35.45 45.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 44.24 110.856 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 426' ' ' MET . . . . . 0.517 ' HA ' HG12 ' A' ' 429' ' ' VAL . 57.0 mtm -85.39 -35.27 21.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.856 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -63.28 -37.12 86.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 65.35 110.913 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 2.0 pp -75.99 -35.28 59.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.906 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 426' ' ' MET . 9.8 p -98.6 30.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 70.12 111.12 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -84.04 -49.78 4.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 25.3 112.492 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -100.04 124.07 45.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 75.24 110.867 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 62.7 -139.42 45.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 64.41 112.481 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.62 -54.0 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 72.32 110.877 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.35 154.73 14.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 75.02 110.833 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 33.0 m -142.81 153.64 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 45.03 111.104 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.597 HD12 ' OG1' ' A' ' 437' ' ' THR . 1.8 pp -132.22 138.22 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 70.31 111.088 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.597 ' OG1' HD12 ' A' ' 436' ' ' ILE . 0.7 OUTLIER 64.16 93.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 73.3 111.146 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.94 174.17 12.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 73.44 110.926 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 6.8 m -130.9 68.6 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 34.11 111.096 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.05 -73.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 61.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -87.67 -36.43 17.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 64.43 110.91 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -94.9 13.43 24.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.11 110.878 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.03 -36.49 50.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.3 110.831 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -36.7 73.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 75.3 110.87 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.21 99.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 72.32 111.087 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -59.79 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 72.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -63.27 -36.17 82.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 64.54 110.914 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -52.04 -55.93 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 53.15 110.901 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -36.69 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.907 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -65.28 -59.72 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.51 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.33 -40.46 68.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 75.33 110.851 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.55 -35.71 75.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 75.21 110.884 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.42 -38.13 52.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 74.2 111.088 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -91.47 -49.06 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.902 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -87.4 116.49 25.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 73.14 110.931 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.0 -78.03 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 60.34 111.12 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.32 -175.9 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 72.51 110.903 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -132.86 -171.61 2.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 75.11 110.839 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -153.46 137.88 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 44.03 110.947 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -113.64 -142.78 8.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.728 . . . . 70.4 112.5 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.2 87.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 74.2 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -173.97 144.86 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 65.12 110.893 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 145.74 165.94 11.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 54.43 112.5 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.13 13.17 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.228 . . . . 72.11 112.341 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 69.27 -75.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 63.41 110.905 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 52.29 -170.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.877 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 9.9 tttt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 65.2 110.93 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.867 0.365 . . . . 74.43 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -140.65 152.51 45.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 74.02 110.9 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -171.05 176.41 4.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 50.42 111.096 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -159.25 -75.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 75.44 111.112 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 13.7 m 61.0 97.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 61.04 110.878 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -143.77 169.32 17.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 74.35 110.873 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.31 176.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 65.14 111.208 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -61.77 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 65.44 110.78 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -37.14 61.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 74.02 110.862 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.99 -33.4 63.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 8.5 t -68.85 -37.25 79.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 65.45 110.845 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -32.49 57.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 64.45 110.886 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.51 HD23 ' CG ' ' B' ' 393' ' ' HIS . 1.0 OUTLIER -74.24 -41.38 61.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 63.21 110.891 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -63.1 -36.05 82.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 64.41 110.908 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -76.97 -36.32 56.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.838 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.465 HG23 ' HB1' ' B' ' 376' ' ' ALA . 28.7 mt -63.14 -42.61 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.43 111.121 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -72.09 -43.89 64.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.86 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 75.04 111.071 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.05 -52.19 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 74.45 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.434 HG22 HD12 ' B' ' 363' ' ' LEU . 42.0 mt -57.89 -33.61 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 62.43 111.155 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -62.27 -52.27 64.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 74.3 110.944 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.93 -31.3 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 15.8 m -74.6 -26.78 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.843 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.434 HD12 HG22 ' B' ' 359' ' ' ILE . 21.4 mt -93.73 26.67 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 45.15 110.91 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.13 171.05 7.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.887 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 0.972 HD11 HG22 ' A' ' 403' ' ' ILE . 5.7 tp -84.41 -38.92 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.112 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.53 -31.98 15.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 64.14 110.844 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -105.85 36.42 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 65.1 110.909 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 406' ' ' PHE . 17.5 tp -56.11 107.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.914 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.95 75.62 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.845 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.538 ' O ' HD12 ' B' ' 374' ' ' ILE . 6.2 m -51.51 -29.13 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 64.02 111.1 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -51.63 -38.29 54.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.909 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -76.13 -35.46 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 64.21 110.878 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.415 ' SG ' HG23 ' B' ' 359' ' ' ILE . 29.5 t -54.55 -59.02 5.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 61.02 110.895 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.538 HD12 ' O ' ' B' ' 370' ' ' VAL . 2.7 mp -53.41 -44.81 56.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 64.33 111.147 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.96 -37.28 52.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.465 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.99 -51.01 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.15 111.124 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 19.8 mt -52.07 -35.52 47.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.93 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -63.03 -46.66 86.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 54.03 110.924 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -61.03 -47.23 87.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 62.51 110.9 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.718 HD12 HD22 ' A' ' 419' ' ' LEU . 1.2 tm? -52.61 -49.2 65.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 72.31 110.887 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.88 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.081 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -36.62 63.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 63.33 110.821 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.28 116.66 6.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 71.02 110.895 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.97 61.16 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 65.43 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.34 138.38 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.11 111.121 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -98.2 173.82 6.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 45.24 111.134 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.25 -38.41 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.31 110.887 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -55.19 -56.56 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.97 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -67.22 -38.44 85.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.945 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.38 -44.86 92.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 62.03 111.089 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 391' ' ' GLN . . . . . 0.593 ' O ' HG23 ' B' ' 394' ' ' THR . 3.2 mt-30 -51.77 -36.0 45.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.922 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -75.87 -35.91 59.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 54.25 110.912 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 393' ' ' HIS . . . . . 0.51 ' CG ' HD23 ' B' ' 352' ' ' LEU . 74.3 m80 -95.57 35.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.855 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.811 ' HA ' HD12 ' B' ' 397' ' ' ILE . 3.0 p -57.02 -35.69 69.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 54.13 111.131 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.51 -46.35 83.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.92 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -55.8 -36.2 67.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 75.43 110.885 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' B' ' 394' ' ' THR . 9.6 mt -69.68 -39.85 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 71.44 111.141 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 52.6 m -59.47 -41.53 89.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 55.43 111.116 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.7 m -63.51 -36.1 82.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 71.54 111.126 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' B' ' 397' ' ' ILE . 27.6 mt -58.95 -36.05 74.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.908 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -75.95 -28.82 58.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 60.31 110.871 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -74.89 -35.97 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 72.14 110.882 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.947 HG22 HD11 ' A' ' 365' ' ' ILE . 33.6 pt -73.38 -1.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 52.0 111.159 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -79.22 -34.37 42.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.83 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.11 -18.78 7.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 65.42 110.842 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.504 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.2 OUTLIER -40.9 119.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 70.24 110.935 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -174.63 135.77 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 62.2 110.879 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 13.5 p -62.58 132.45 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 71.22 111.112 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 31.4 t -69.12 172.65 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 64.22 110.834 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.29 -33.8 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 73.33 110.892 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 411' ' ' VAL . . . . . 0.406 HG13 HG13 ' B' ' 412' ' ' ILE . 4.4 p -53.13 -41.66 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 73.1 111.142 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.445 HD11 ' HB ' ' A' ' 370' ' ' VAL . 96.9 mt -73.71 -48.55 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 71.34 111.116 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.6 mtm -56.68 -33.8 66.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.813 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.63 -52.53 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.848 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -60.47 -39.21 86.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.889 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 79.1 p -54.96 -47.3 74.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 61.13 110.847 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 32.4 m -57.09 -49.47 75.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 52.43 111.167 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -43.32 60.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.848 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.786 HD22 HD12 ' A' ' 380' ' ' LEU . 54.1 mt -74.43 -40.38 61.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 43.52 110.915 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -59.41 -58.01 10.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.887 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.09 -35.23 74.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 72.53 110.852 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -56.95 -51.52 68.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.45 110.878 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 49.1 m-85 -65.28 -51.23 62.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 54.34 110.869 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -52.21 -37.59 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 71.03 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 425' ' ' ASN . . . . . 0.476 ' O ' HG12 ' B' ' 429' ' ' VAL . 21.8 t-20 -52.4 -35.36 51.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 62.42 110.894 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 426' ' ' MET . . . . . 0.539 ' HA ' HG12 ' B' ' 429' ' ' VAL . 56.3 mtm -85.5 -35.47 21.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.87 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -62.78 -36.95 84.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 71.21 110.846 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 2.0 pp -76.01 -35.14 59.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 72.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' B' ' 426' ' ' MET . 9.9 p -98.51 31.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.107 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -84.54 -51.65 3.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 42.01 112.479 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.15 125.1 44.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 62.22 110.922 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 61.47 -139.69 47.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.747 . . . . 64.44 112.47 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.17 -53.81 3.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 74.12 110.9 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.38 154.98 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.856 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 33.0 m -143.02 153.83 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 65.41 111.141 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.608 HD12 ' OG1' ' B' ' 437' ' ' THR . 1.8 pp -132.32 138.58 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 70.25 111.148 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.608 ' OG1' HD12 ' B' ' 436' ' ' ILE . 0.7 OUTLIER 63.79 94.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 73.13 111.148 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.2 174.15 13.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 54.42 110.941 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 6.8 m -130.86 68.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 74.11 111.122 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.93 -74.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 73.25 110.897 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -87.48 -36.54 17.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.33 110.899 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -94.71 13.43 24.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.843 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -36.58 50.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 55.1 110.871 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -36.46 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 73.22 110.904 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.27 99.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 72.51 111.136 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -59.75 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.871 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -63.4 -36.08 82.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.94 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -52.14 -55.12 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.864 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -37.17 75.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.948 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -65.11 -59.76 3.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 65.3 110.879 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -54.7 -38.44 67.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.891 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -37.13 73.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 65.55 110.875 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.73 -41.32 61.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 64.13 111.102 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -92.92 -38.29 11.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.904 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -84.38 107.64 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 72.25 110.927 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.5 -169.87 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 63.12 111.117 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.84 168.88 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.869 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -118.33 -171.78 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.887 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -149.99 139.07 21.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 60.35 110.927 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -111.64 -139.53 7.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 71.53 112.465 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.12 87.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 72.41 110.896 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -174.34 144.81 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.911 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 145.46 165.76 11.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 65.23 112.535 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -35.11 13.18 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 74.05 112.332 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.26 -75.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 71.54 110.921 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 52.24 -169.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 72.33 110.874 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 9.9 tttt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 61.23 110.901 179.876 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.824 0.345 . . . . 74.34 110.835 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -157.6 95.22 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 73.04 110.9 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -146.75 140.53 25.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 50.24 111.055 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -148.0 170.43 17.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.087 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 4.8 p -143.31 163.79 32.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -128.04 -73.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 71.32 110.901 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.28 165.64 11.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 73.11 111.163 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.89 -60.04 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 60.3 110.849 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -36.07 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.15 110.863 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.79 -46.72 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.884 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 14.6 t -60.11 -39.05 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 64.41 110.861 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -75.26 -33.95 61.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.87 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.631 HD23 HD12 ' A' ' 355' ' ' ILE . 10.9 mt -69.07 -47.86 64.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.924 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -26.56 43.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.33 110.913 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -76.97 -38.12 53.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.875 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.631 HD12 HD23 ' A' ' 352' ' ' LEU . 56.5 mt -61.92 -41.52 91.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.129 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -71.82 -42.79 66.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.851 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.36 -44.67 86.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 63.02 111.122 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -55.15 -50.67 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.424 HG22 HD12 ' A' ' 363' ' ' LEU . 43.0 mt -57.29 -35.36 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 73.32 111.108 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -47.28 83.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.897 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -75.73 -30.57 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 61.12 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.7 p -78.03 -3.06 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.833 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.424 HD12 HG22 ' A' ' 359' ' ' ILE . 51.8 mt -121.45 26.03 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 63.44 110.855 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 170.67 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.885 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 1.048 HD11 HG22 ' B' ' 403' ' ' ILE . 5.9 tp -84.52 -41.0 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 75.13 111.127 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.431 ' N ' HG23 ' A' ' 365' ' ' ILE . 4.8 p-10 -92.16 -32.36 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.851 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -109.88 36.34 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 65.54 110.889 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.531 HD13 ' CD2' ' B' ' 406' ' ' PHE . 17.3 tp -53.51 107.61 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 61.41 110.908 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -123.64 69.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.869 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.684 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.8 m -52.38 -30.06 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 73.32 111.117 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -52.21 -42.06 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.877 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -35.56 59.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.872 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' A' ' 359' ' ' ILE . 42.4 t -53.96 -37.18 63.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 70.04 110.884 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.1 mt -73.76 -50.24 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 55.44 111.125 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.53 -34.51 36.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.937 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.425 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.65 -53.8 7.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.109 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 70.5 mt -52.03 -43.87 63.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 72.3 110.882 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -63.24 -35.01 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 44.25 110.875 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.96 -46.21 82.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 34.12 110.884 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.541 HD12 HD22 ' B' ' 419' ' ' LEU . 3.4 tm? -51.39 -53.19 39.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 52.31 110.92 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.667 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -55.93 -24.97 41.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 53.33 111.099 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.25 26.79 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.88 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.583 HD11 ' CD1' ' A' ' 355' ' ' ILE . 22.4 mt -111.66 -30.67 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 63.21 110.877 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 49.99 50.26 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.872 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.73 147.3 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 44.12 111.106 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -82.63 173.9 11.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 72.12 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 4.3 ttt -64.16 -38.09 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.855 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -55.15 -55.54 30.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 70.25 110.968 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -72.75 -35.69 67.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.899 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.66 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 73.34 111.092 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 391' ' ' GLN . . . . . 0.554 ' O ' HG23 ' A' ' 394' ' ' THR . 18.5 mt-30 -51.6 -51.54 54.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.931 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -51.97 -33.95 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 71.12 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -95.15 35.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 70.14 110.854 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.764 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.6 OUTLIER -57.49 -35.22 69.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 63.35 111.119 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.84 -44.18 90.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 65.31 110.904 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 49.1 ttp -55.35 -44.88 76.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.922 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.764 HD12 ' HA ' ' A' ' 394' ' ' THR . 5.7 mt -60.73 -42.01 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 64.34 111.154 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 7.3 m -54.99 -37.04 66.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 71.25 111.181 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.8 m -70.28 -35.42 73.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.32 111.138 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 397' ' ' ILE . 22.4 mt -60.95 -36.24 78.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.903 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -28.78 56.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.05 110.886 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -75.91 -35.42 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 71.01 110.875 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.031 HG22 HD11 ' B' ' 365' ' ' ILE . 41.0 pt -73.11 -1.88 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 75.44 111.138 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -33.63 45.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 64.01 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -20.48 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.874 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.562 ' HE1' HG13 ' B' ' 408' ' ' VAL . 0.7 OUTLIER -42.43 113.67 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.04 110.873 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 31.6 pttt -175.63 133.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.564 HG13 ' HE1' ' B' ' 406' ' ' PHE . 2.2 m -51.9 145.94 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 43.23 111.096 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 40.7 t -87.87 157.32 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 74.43 110.882 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -52.24 -35.65 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 74.23 110.879 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -58.84 -40.0 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 73.11 111.117 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.617 HD11 ' HB ' ' B' ' 370' ' ' VAL . 80.1 mt -73.25 -50.68 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.31 111.093 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 11.5 mtm -60.06 -32.35 70.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 65.12 110.919 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -75.68 -45.72 35.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -65.03 -34.83 79.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 75.21 110.91 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.8 p -58.99 -52.27 66.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 71.33 110.842 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 65.1 m -52.47 -43.64 65.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 73.02 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -51.93 -49.06 63.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.895 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.587 HD22 HD12 ' B' ' 380' ' ' LEU . 50.4 mt -73.57 -38.39 65.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 71.2 110.911 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -57.02 -51.77 67.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.938 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -66.48 -36.22 82.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.91 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -54.97 -49.54 71.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.922 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -74.43 -36.11 63.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' LYS . . . . . 0.558 ' HG2' HD23 ' A' ' 428' ' ' LEU . 4.2 ttpm? -57.18 -50.72 71.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 63.42 110.926 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.75 -39.24 65.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 44.24 110.913 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 10.0 mtm -75.2 -35.12 61.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.876 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.44 ' HE2' HG22 ' B' ' 394' ' ' THR . 3.6 m-85 -69.66 -35.96 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 65.35 110.89 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.558 HD23 ' HG2' ' A' ' 424' ' ' LYS . 4.3 pp -85.57 -35.03 21.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.933 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.49 ' N ' HD12 ' A' ' 428' ' ' LEU . 98.3 t 59.25 94.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 70.12 111.134 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 147.04 142.74 3.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 25.3 112.482 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -144.86 118.56 9.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 75.24 110.855 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -157.84 -46.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 64.41 112.482 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.15 167.91 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 72.32 110.863 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 434' ' ' SER . . . . . 0.526 ' O ' HG13 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -178.51 120.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.02 110.849 -179.787 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 434' ' ' SER . 0.3 OUTLIER -159.61 63.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 45.03 111.106 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 28.2 mt 63.06 107.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.175 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 96.4 m 60.68 104.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 73.3 111.189 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -62.77 142.31 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.92 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 5.1 m -122.73 76.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 34.11 111.157 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 12.2 mt -139.99 92.72 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 61.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -140.45 145.47 37.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 64.43 110.918 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -116.03 -67.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.905 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 7.2 m -61.76 -53.89 49.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 75.3 110.885 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.21 -35.77 81.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.931 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.56 -36.63 46.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 72.32 111.144 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.15 -58.84 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.23 -36.08 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 64.54 110.88 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -52.04 -38.37 56.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 53.15 110.82 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -52.03 -41.53 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.91 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' HIS . . . . . 0.454 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 0.0 OUTLIER -82.51 -44.42 15.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.891 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.57 -58.67 6.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.874 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.63 -36.4 64.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.849 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 450' ' ' HIS . . . -52.35 -35.86 52.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.2 111.088 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -89.39 -36.9 15.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.902 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 152.69 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 73.14 110.885 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.6 t -119.95 170.3 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 60.34 111.17 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.57 179.0 4.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 72.51 110.883 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.82 176.89 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 75.11 110.87 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -82.31 56.99 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 44.03 110.923 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -48.71 -85.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 70.4 112.491 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.81 -177.84 6.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 74.2 110.904 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.62 -67.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 65.12 110.895 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 78.79 169.34 36.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.772 -0.727 . . . . 54.43 112.531 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -171.16 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.724 2.283 . . . . 72.11 112.316 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -53.82 171.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 63.41 110.925 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.23 177.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 73.41 110.915 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 65.2 110.886 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.893 0.378 . . . . 74.43 110.839 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -157.52 95.04 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.883 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -146.66 140.33 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 50.42 111.118 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -147.75 170.45 17.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 75.44 111.075 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 4.8 p -143.62 163.68 32.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 61.04 110.887 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -127.89 -72.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 74.35 110.877 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.31 165.79 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 65.14 111.174 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.22 -59.29 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 65.44 110.872 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -36.34 60.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 74.02 110.854 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.25 -45.54 55.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.42 110.878 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 14.8 t -61.32 -39.54 90.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 65.45 110.852 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -75.36 -34.13 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 64.45 110.899 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.573 ' HA ' HD12 ' B' ' 355' ' ' ILE . 12.6 mt -70.8 -48.28 55.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 63.21 110.923 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -26.19 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.897 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -76.87 -37.4 55.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 71.42 110.849 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' B' ' 352' ' ' LEU . 43.3 mt -62.87 -41.01 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.43 111.139 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -70.79 -40.86 72.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.874 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.24 -44.21 76.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.095 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -55.35 -50.2 70.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 74.45 110.895 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.404 HG22 HD12 ' B' ' 363' ' ' LEU . 42.4 mt -57.68 -35.37 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 62.43 111.093 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -46.99 83.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.841 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -75.73 -30.82 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 75.2 110.908 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 7.3 p -77.81 -3.16 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.875 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.425 HD21 ' SG ' ' B' ' 373' ' ' CYS . 53.8 mt -121.35 25.9 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 45.15 110.904 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 170.89 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.861 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.031 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.69 -40.86 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.33 111.116 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.428 ' N ' HG23 ' B' ' 365' ' ' ILE . 4.9 p-10 -92.46 -32.38 14.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 64.14 110.852 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -109.66 36.2 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 65.1 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.543 HD13 ' CD2' ' A' ' 406' ' ' PHE . 16.9 tp -53.5 107.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.916 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -123.29 69.37 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.843 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.617 ' HB ' HD11 ' A' ' 412' ' ' ILE . 7.4 m -52.02 -30.49 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 64.02 111.122 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -52.25 -42.19 63.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -35.52 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 64.21 110.868 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.425 ' SG ' HD21 ' B' ' 363' ' ' LEU . 43.1 t -53.63 -38.03 63.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.86 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.0 mt -73.11 -49.23 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 64.33 111.117 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.9 -35.49 45.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.499 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.64 -53.79 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 73.15 111.089 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 70.9 mt -52.21 -42.96 63.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 72.3 110.931 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.19 -35.83 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 54.03 110.848 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -45.66 89.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 62.51 110.883 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.587 HD12 HD22 ' A' ' 419' ' ' LEU . 3.2 tm? -52.88 -52.14 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.878 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 381' ' ' ALA . . . . . 0.546 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -54.96 -33.23 62.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 71.22 111.084 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -28.75 64.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 63.33 110.807 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 41.3 mt -91.05 95.17 9.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 71.02 110.9 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -70.7 76.28 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 65.43 110.891 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 385' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 386' ' ' THR . 3.5 p -78.49 142.41 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 70.11 111.123 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 386' ' ' THR . . . . . 0.4 ' O ' HG22 ' B' ' 385' ' ' VAL . 14.7 t -80.44 174.1 11.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 45.24 111.127 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.2 ttt -63.57 -37.78 88.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.817 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -55.3 -54.58 41.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.923 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -73.85 -35.93 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.12 110.859 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.44 92.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 62.03 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 391' ' ' GLN . . . . . 0.551 ' O ' HG23 ' B' ' 394' ' ' THR . 18.3 mt-30 -51.84 -50.5 60.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 71.43 110.912 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -52.52 -34.41 49.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 54.25 110.88 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -95.08 35.52 1.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.828 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.668 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.6 OUTLIER -56.8 -35.34 68.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 54.13 111.142 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.88 -42.44 89.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.897 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 43.5 ttp -55.43 -48.02 75.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 75.43 110.901 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.798 ' HA ' HD12 ' B' ' 400' ' ' LEU . 5.8 mt -58.37 -41.93 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 71.44 111.109 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 7.4 m -54.45 -37.32 65.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 55.43 111.128 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 89.4 m -71.27 -36.87 71.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 71.54 111.133 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' B' ' 397' ' ' ILE . 21.5 mt -59.83 -35.63 75.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.11 110.889 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -28.89 55.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 60.31 110.917 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -76.01 -35.2 59.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 72.14 110.887 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 1.048 HG22 HD11 ' A' ' 365' ' ' ILE . 41.0 pt -73.06 -1.83 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 52.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -33.66 44.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 71.35 110.888 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.75 -20.36 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 65.42 110.849 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.564 ' HE1' HG13 ' A' ' 408' ' ' VAL . 0.7 OUTLIER -42.59 113.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 70.24 110.868 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -175.52 133.75 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 62.2 110.888 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.562 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.0 m -51.69 146.24 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 71.22 111.129 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.6 t -88.29 157.0 18.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.842 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -51.97 -35.55 46.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 73.33 110.887 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 411' ' ' VAL . . . . . 0.4 HG13 HG13 ' B' ' 412' ' ' ILE . 6.3 p -59.04 -39.84 79.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 73.1 111.158 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.684 HD11 ' HB ' ' A' ' 370' ' ' VAL . 81.4 mt -73.14 -50.64 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 71.34 111.157 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.5 mtm -60.05 -32.75 71.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 75.13 110.86 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -75.23 -45.99 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.895 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -64.93 -34.29 78.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -59.65 -51.41 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 61.13 110.895 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 63.7 m -52.55 -43.55 65.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 52.43 111.154 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.0 tpt -51.6 -51.27 56.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.905 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 381' ' ' ALA . 52.3 mt -72.02 -37.59 69.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 43.52 110.922 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -56.9 -52.95 63.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 75.05 110.887 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -66.79 -37.2 84.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.53 110.866 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -53.36 -49.35 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 71.45 110.868 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -74.74 -35.93 62.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 54.34 110.84 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 424' ' ' LYS . . . . . 0.569 ' HG2' HD23 ' B' ' 428' ' ' LEU . 4.3 ttpm? -57.69 -50.51 72.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 71.03 110.905 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -53.66 -39.66 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 62.42 110.87 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -75.05 -35.2 61.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.851 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 427' ' ' PHE . . . . . 0.471 ' HE2' HG22 ' A' ' 394' ' ' THR . 3.6 m-85 -69.36 -35.75 76.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 71.21 110.904 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.569 HD23 ' HG2' ' B' ' 424' ' ' LYS . 4.3 pp -86.08 -35.15 20.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 72.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.503 ' N ' HD12 ' B' ' 428' ' ' LEU . 99.0 t 59.72 95.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.121 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 147.54 142.72 3.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.725 -0.75 . . . . 42.01 112.461 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -145.91 120.75 9.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.937 0.399 . . . . 62.22 110.863 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -159.32 -39.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 64.44 112.505 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -170.26 2.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 74.12 110.834 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.1 -169.59 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 63.33 110.823 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.768 HG12 HG13 ' B' ' 436' ' ' ILE . 10.6 t 67.28 119.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 65.41 111.142 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.768 HG13 HG12 ' B' ' 435' ' ' VAL . 22.1 mt 65.26 153.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 70.25 111.121 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 12.8 t -45.87 134.96 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 73.13 111.145 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -57.82 142.14 46.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 54.42 110.965 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 6.3 m -123.28 66.08 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 74.11 111.168 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 12.3 mt -131.71 94.09 3.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 73.25 110.861 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -140.6 143.98 35.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 71.33 110.914 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.8 -67.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.907 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 7.2 m -62.73 -52.03 64.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 55.1 110.818 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.85 -35.83 80.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 73.22 110.891 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.67 -36.85 48.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.51 111.077 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.15 -57.9 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 74.42 110.891 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -35.94 75.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 75.01 110.947 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -52.3 -38.72 59.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.832 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -51.88 -41.44 61.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 450' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' B' ' 453' ' ' ALA . 0.0 OUTLIER -82.55 -44.21 16.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 65.3 110.865 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.74 -58.73 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.868 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -36.62 64.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 65.55 110.906 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 453' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 450' ' ' HIS . . . -52.35 -36.0 52.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 64.13 111.113 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -89.02 -36.71 15.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.889 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 153.37 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 72.25 110.886 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 14.6 t -119.16 173.17 7.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 63.12 111.127 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 -176.44 3.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 73.2 110.927 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.73 -171.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 72.44 110.853 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -70.87 -35.09 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 60.35 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 49.74 -105.28 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 71.53 112.474 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.57 -172.35 3.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.354 . . . . 72.41 110.905 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.27 -69.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 72.34 110.915 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 79.68 169.45 38.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 65.23 112.494 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -171.3 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.236 . . . . 74.05 112.383 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -54.46 172.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 71.54 110.886 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.11 177.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.86 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 61.23 110.877 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.871 0.367 . . . . 74.34 110.832 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.59 177.04 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 73.04 110.875 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -89.97 -173.21 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 50.24 111.084 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -166.62 166.6 15.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 74.12 111.086 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 31.0 p -149.95 108.34 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 73.0 110.866 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.76 104.5 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 71.32 110.884 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 57.48 35.77 26.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 73.11 111.178 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 27.9 p -70.73 -36.6 73.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 60.3 110.901 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -36.76 64.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 71.15 110.907 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.37 -40.74 64.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.865 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -63.62 -37.95 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.865 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.613 HH11 HD22 ' A' ' 383' ' ' LEU . 8.2 ptp180 -76.34 -33.43 58.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 74.54 110.869 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.521 HD22 ' HE3' ' A' ' 396' ' ' MET . 23.7 mt -75.97 -32.02 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.92 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.09 -32.48 67.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.891 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -78.28 -38.49 42.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 75.43 110.873 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.403 HG23 ' HB1' ' A' ' 376' ' ' ALA . 45.9 mt -65.18 -38.12 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 73.14 111.143 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -72.86 -43.37 62.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.892 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.77 78.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 63.02 111.131 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.55 -42.67 71.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 64.34 110.883 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 29.4 mt -68.22 -31.88 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.109 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -61.92 -52.32 64.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 71.35 110.927 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -71.17 -29.05 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 61.12 110.925 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 71.8 m -75.48 -26.9 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 73.51 110.857 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 35.8 mt -95.1 26.67 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 63.44 110.918 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.36 168.83 13.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.901 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 0.886 HD11 HG22 ' B' ' 403' ' ' ILE . 5.2 tp -84.66 -37.87 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 75.13 111.143 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -90.46 -33.74 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 72.25 110.917 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.64 36.62 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 65.54 110.905 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' B' ' 406' ' ' PHE . 14.9 tp -56.47 107.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 61.41 110.906 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -132.97 75.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.15 110.865 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.641 ' HB ' HD11 ' B' ' 412' ' ' ILE . 14.0 m -51.07 -28.89 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.115 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -51.7 -38.47 55.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.915 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -76.29 -35.55 58.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.858 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 18.0 t -53.4 -58.84 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 70.04 110.836 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.42 -47.07 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 55.44 111.141 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.97 -34.86 44.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.903 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.403 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.24 -52.7 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 74.24 111.117 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.63 HD23 ' CB ' ' B' ' 415' ' ' LYS . 2.9 mp -52.01 -34.83 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 72.3 110.902 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -58.58 -49.41 77.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 44.25 110.937 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.19 -50.14 74.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 34.12 110.93 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.649 ' O ' HD13 ' A' ' 380' ' ' LEU . 1.5 tm? -51.69 -37.19 49.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 52.31 110.962 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.12 72.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 53.33 111.084 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 23.0 t -76.52 -35.67 58.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.847 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.613 HD22 HH11 ' A' ' 351' ' ' ARG . 82.7 mt -69.1 109.81 4.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 63.21 110.898 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.25 60.14 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 74.02 110.917 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.63 138.81 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 44.12 111.102 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -94.0 171.67 8.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 72.12 111.103 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -35.35 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.887 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.91 -59.23 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 70.25 110.893 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.24 -36.02 80.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 70.44 110.935 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.8 -47.23 86.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.093 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 391' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 394' ' ' THR . 28.5 mt-30 -51.69 -37.07 49.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.891 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -35.23 68.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 71.12 110.941 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -95.43 35.52 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 70.14 110.805 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.451 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.7 OUTLIER -51.44 -35.18 38.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 63.35 111.162 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.55 -43.81 93.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 65.31 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.521 ' HE3' HD22 ' A' ' 352' ' ' LEU . 42.3 ttp -55.33 -47.18 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.875 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.707 ' HA ' HD12 ' A' ' 400' ' ' LEU . 2.9 mt -61.11 -42.3 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 64.34 111.161 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 9.4 m -54.12 -43.84 70.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 71.25 111.137 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -62.89 -45.3 93.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 64.32 111.133 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 397' ' ' ILE . 25.0 mt -51.87 -38.43 56.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 73.43 110.914 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -76.81 -28.23 55.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 75.05 110.896 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -75.89 -35.94 59.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 71.01 110.895 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 0.896 HG22 HD11 ' B' ' 365' ' ' ILE . 35.9 pt -72.0 -4.65 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 75.44 111.146 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -37.68 56.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 64.01 110.832 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.05 24.39 8.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.873 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.608 ' CD1' HD13 ' B' ' 368' ' ' LEU . 1.7 t80 -82.55 117.97 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.04 110.889 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -172.54 149.39 2.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.932 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.51 133.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 43.23 111.138 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.2 t -67.42 169.88 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.859 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.3 -34.08 67.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.954 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 411' ' ' VAL . . . . . 0.433 HG13 HG13 ' A' ' 412' ' ' ILE . 5.2 p -53.16 -41.33 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 73.11 111.103 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.503 HD11 ' HB ' ' B' ' 370' ' ' VAL . 89.9 mt -73.71 -51.01 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.31 111.136 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 16.6 mtm -55.74 -33.6 64.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 65.12 110.854 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.16 -51.12 16.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 73.25 110.906 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.683 ' CB ' HD23 ' B' ' 377' ' ' LEU . 16.8 mttm -60.58 -40.1 90.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.942 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 87.2 p -55.11 -45.46 75.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.877 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 33.2 m -57.87 -49.2 77.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.02 111.094 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttp -51.75 -42.54 62.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 71.21 110.877 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.641 HD22 HD12 ' B' ' 380' ' ' LEU . 62.1 mt -74.3 -43.21 57.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.944 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -55.19 -53.86 50.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -58.49 -35.89 72.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 73.14 110.874 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -54.91 -51.1 67.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.877 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.607 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 90.4 m-85 -74.23 -38.4 63.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -58.61 -44.84 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 63.42 110.95 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -59.94 -36.07 76.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 44.24 110.855 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 37.8 mtm -76.3 -35.17 58.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.843 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -73.17 -36.68 66.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 65.35 110.873 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.3 pp -84.46 -35.43 23.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.947 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.508 ' N ' HD12 ' A' ' 428' ' ' LEU . 93.9 t 56.65 91.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 70.12 111.168 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -179.51 -95.58 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.729 . . . . 25.3 112.46 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -161.99 165.97 26.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.369 . . . . 75.24 110.883 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -96.4 36.52 3.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 64.41 112.477 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.58 -47.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 72.32 110.86 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.81 154.98 47.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 75.02 110.872 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 19.1 m -113.76 168.94 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 45.03 111.158 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.45 HG22 ' OG1' ' A' ' 437' ' ' THR . 44.9 mt -137.6 127.99 37.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 70.31 111.146 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.45 ' OG1' HG22 ' A' ' 436' ' ' ILE . 0.2 OUTLIER 54.0 -173.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 73.3 111.156 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.58 140.27 35.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.891 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.63 117.7 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 34.11 111.109 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -61.15 2.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 61.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -103.54 85.28 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 64.43 110.893 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -91.6 13.42 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.911 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 6.5 t -60.46 -49.68 76.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 75.3 110.867 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.44 -43.04 99.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 75.3 110.932 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -59.55 -56.0 27.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 72.32 111.121 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -36.3 83.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 72.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -66.46 -36.12 81.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 64.54 110.891 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.02 -36.97 51.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 53.15 110.839 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.13 -47.37 65.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.91 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -82.32 -39.0 23.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.822 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.64 -59.22 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 75.33 110.905 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -36.21 83.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 75.21 110.875 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.31 79.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 74.2 111.112 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -51.59 -37.75 51.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.898 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -58.67 6.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.862 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.7 m -154.34 -44.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 60.34 111.168 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 4.9 pttp 179.46 -175.24 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 72.51 110.922 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.96 145.53 2.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.859 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -177.97 102.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 44.03 110.906 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -152.65 -146.94 4.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 70.4 112.494 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -145.57 170.58 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 74.2 110.877 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -150.79 43.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.875 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 64.57 -165.84 31.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 54.43 112.448 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -29.63 23.44 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 72.11 112.316 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 29.0 t30 63.0 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 63.41 110.893 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -166.91 -61.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.884 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 65.2 110.919 179.889 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.931 0.396 . . . . 74.43 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.43 177.19 8.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 74.02 110.914 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -90.29 -173.04 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 50.42 111.116 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -166.57 166.83 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.44 111.067 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 30.9 p -150.2 108.44 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 61.04 110.92 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.0 104.76 4.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 74.35 110.892 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 56.85 35.62 26.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 65.14 111.13 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 28.9 p -70.42 -36.36 73.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 65.44 110.828 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -37.33 63.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.02 110.891 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.99 -36.21 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -68.24 -38.13 81.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 65.45 110.833 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -75.56 -36.93 60.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 64.45 110.883 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.522 HD22 ' HE1' ' B' ' 396' ' ' MET . 31.2 mt -71.71 -47.77 51.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 63.21 110.897 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -57.83 -30.48 65.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 64.41 110.957 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -76.92 -43.18 36.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.583 HG23 ' HB1' ' B' ' 376' ' ' ALA . 22.5 mt -61.82 -36.7 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 75.43 111.14 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -71.94 -50.51 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.826 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.16 93.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 75.04 111.072 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -54.66 -45.14 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.403 HG23 ' SG ' ' B' ' 373' ' ' CYS . 35.8 mt -66.2 -33.28 62.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 62.43 111.147 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -52.15 66.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.885 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -71.61 -26.87 62.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.4 m -76.14 -28.8 57.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 71.21 110.849 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 39.3 mt -94.58 26.53 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 45.15 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.77 169.77 9.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.892 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 0.896 HD11 HG22 ' A' ' 403' ' ' ILE . 4.5 tp -84.8 -39.12 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.33 111.138 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -90.3 -33.35 16.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.842 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -107.91 36.76 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 65.1 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.608 HD13 ' CD1' ' A' ' 406' ' ' PHE . 12.5 tp -56.68 107.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 73.24 110.9 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -135.16 78.74 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.857 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.503 ' HB ' HD11 ' A' ' 412' ' ' ILE . 4.9 m -52.84 -27.79 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 64.02 111.13 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.69 -38.69 56.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.87 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -76.1 -35.56 59.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 64.21 110.832 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.403 ' SG ' HG23 ' B' ' 359' ' ' ILE . 14.1 t -53.46 -59.16 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 61.02 110.886 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.402 HD12 ' O ' ' B' ' 370' ' ' VAL . 3.1 mt -53.34 -46.1 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 64.33 111.147 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.81 -35.86 45.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 75.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.583 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.83 -50.8 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 73.15 111.142 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 377' ' ' LEU . . . . . 0.683 HD23 ' CB ' ' A' ' 415' ' ' LYS . 2.9 mp -52.24 -35.47 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.913 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.78 -48.99 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 54.03 110.863 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -59.08 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 62.51 110.861 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.641 HD12 HD22 ' A' ' 419' ' ' LEU . 1.5 tm? -52.05 -39.66 59.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.927 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.32 77.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 71.22 111.118 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 23.0 t -76.05 -35.78 59.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 63.33 110.821 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.59 110.19 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 71.02 110.889 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.65 60.02 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 65.43 110.931 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.39 138.89 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 70.11 111.115 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -93.64 171.97 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 45.24 111.105 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -35.69 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 75.31 110.863 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.45 -59.06 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.923 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.34 -36.29 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.47 -46.46 88.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 62.03 111.092 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -51.97 -35.81 47.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 71.43 110.925 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -35.84 65.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 54.25 110.905 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -96.05 35.59 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.828 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.49 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.7 OUTLIER -53.11 -35.5 59.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 54.13 111.133 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.94 -39.67 82.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 74.34 110.859 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 396' ' ' MET . . . . . 0.522 ' HE1' HD22 ' B' ' 352' ' ' LEU . 43.0 ttp -58.51 -47.08 85.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.871 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.737 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.1 mt -62.92 -40.01 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.44 111.166 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 9.1 m -54.36 -40.34 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 55.43 111.153 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.7 m -68.11 -42.69 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 71.54 111.124 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' B' ' 397' ' ' ILE . 45.8 mt -51.15 -39.84 57.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 75.11 110.877 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -76.02 -28.52 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 60.31 110.869 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -74.81 -36.04 62.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 72.14 110.894 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.886 HG22 HD11 ' A' ' 365' ' ' ILE . 34.1 pt -73.51 -2.49 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 52.0 111.138 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -38.73 31.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.35 110.885 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.39 26.04 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 65.42 110.858 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.466 ' CD2' HD13 ' A' ' 368' ' ' LEU . 0.0 OUTLIER -87.47 122.26 30.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 70.24 110.861 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -175.1 154.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 62.2 110.877 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.429 HG13 ' CE2' ' A' ' 406' ' ' PHE . 17.0 m -82.6 133.27 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 71.22 111.145 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 38.8 t -66.28 169.43 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 64.22 110.868 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.17 -33.95 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 73.33 110.952 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.5 p -53.66 -41.65 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.1 111.093 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.641 HD11 ' HB ' ' A' ' 370' ' ' VAL . 86.9 mt -70.73 -51.4 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.088 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.1 mtm -58.26 -32.05 68.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.859 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.14 -53.47 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.903 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 415' ' ' LYS . . . . . 0.63 ' CB ' HD23 ' A' ' 377' ' ' LEU . 16.7 mttm -58.82 -38.71 79.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.883 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.3 p -55.35 -51.27 67.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 61.13 110.849 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 28.7 m -53.81 -48.55 69.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 52.43 111.149 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttp -51.11 -42.8 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.854 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.632 HD22 HD12 ' A' ' 380' ' ' LEU . 61.9 mt -74.46 -46.67 38.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 43.52 110.905 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -52.52 -53.9 39.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.05 110.925 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -58.03 -37.73 74.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 72.53 110.878 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -54.34 -51.67 64.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.93 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 22.5 m-85 -75.16 -36.06 61.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 54.34 110.865 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -59.31 -43.46 92.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 71.03 110.856 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -61.79 -35.01 76.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 62.42 110.902 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.1 mtm -76.09 -35.08 59.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.875 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -72.88 -36.96 67.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.888 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.518 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.4 pp -84.44 -34.92 23.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 72.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.518 ' N ' HD12 ' B' ' 428' ' ' LEU . 93.4 t 56.64 91.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 74.44 111.129 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -179.52 -95.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 42.01 112.495 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -162.23 166.07 25.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 62.22 110.913 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -96.39 36.55 3.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 64.44 112.441 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.42 -47.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.349 . . . . 74.12 110.846 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.72 154.93 47.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 63.33 110.866 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.66 169.19 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 65.41 111.138 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.451 HG22 ' OG1' ' B' ' 437' ' ' THR . 44.8 mt -137.74 128.04 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 70.25 111.13 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.451 ' OG1' HG22 ' B' ' 436' ' ' ILE . 0.2 OUTLIER 53.89 -173.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.13 111.129 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.57 140.21 35.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 54.42 110.927 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 43.5 t -69.71 117.54 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 74.11 111.143 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.67 -60.73 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 73.25 110.924 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -103.57 85.47 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 71.33 110.866 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.437 ' HG3' ' HB3' ' B' ' 445' ' ' ALA . 7.5 tttt -92.23 13.33 19.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.887 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 6.3 t -60.52 -49.56 77.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 55.1 110.829 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.76 -42.58 99.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 73.22 110.937 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 445' ' ' ALA . . . . . 0.437 ' HB3' ' HG3' ' B' ' 442' ' ' LYS . . . -59.72 -55.72 30.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.51 111.125 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -36.22 83.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.867 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -66.61 -36.13 81.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 75.01 110.949 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -36.3 54.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.873 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.41 -47.38 66.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.928 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -82.63 -39.06 22.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 65.3 110.862 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -53.87 -58.95 5.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 75.43 110.884 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.49 -36.13 82.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 65.55 110.905 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -62.02 -34.94 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 64.13 111.086 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -51.84 -39.7 59.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 73.42 110.848 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -73.46 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 72.25 110.868 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 15.0 m -140.83 66.66 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 63.12 111.133 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 6.2 pttp 45.74 -164.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 73.2 110.898 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.41 157.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.44 110.868 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -177.73 105.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 60.35 110.903 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -152.91 -148.46 4.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.681 -0.771 . . . . 71.53 112.43 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -144.29 173.01 12.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 72.41 110.883 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -147.35 36.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 72.34 110.874 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 55.09 -178.9 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 65.23 112.514 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 75.18 1.23 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.713 2.275 . . . . 74.05 112.357 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -49.83 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 71.54 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -159.49 -63.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.865 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 61.23 110.883 179.878 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.863 0.363 . . . . 74.34 110.848 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -48.89 125.08 9.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 73.04 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . 62.4 165.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 50.24 111.078 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -178.32 176.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 74.12 111.101 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.72 154.71 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.0 110.903 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -134.27 154.94 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.861 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 63.42 101.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 73.11 111.136 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 60.1 p -63.09 -47.39 83.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 60.3 110.847 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.5 tpt -54.55 -36.89 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 71.15 110.931 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.25 -41.36 63.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.855 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 72.6 m -63.32 -37.96 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.875 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.404 HH11 HD22 ' A' ' 383' ' ' LEU . 9.6 ptp180 -76.49 -33.74 58.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.829 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.529 HD22 ' CE ' ' A' ' 396' ' ' MET . 15.6 mt -75.34 -33.32 61.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.916 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -33.05 70.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.91 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -78.87 -37.68 39.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 75.43 110.847 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 45.6 mt -64.32 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.14 111.095 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -72.16 -39.75 68.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.916 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.7 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 63.02 111.072 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.94 -38.61 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 64.34 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.592 HG22 HD12 ' A' ' 363' ' ' LEU . 53.2 mt -68.58 -34.4 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.166 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -60.7 -44.48 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 71.35 110.931 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -75.62 -31.3 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 61.12 110.927 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 23.1 p -81.32 -1.03 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 73.51 110.858 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.592 HD12 HG22 ' A' ' 359' ' ' ILE . 26.5 mt -121.29 26.32 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 63.44 110.886 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -72.45 170.08 15.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 73.13 110.883 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 1.031 HD11 HG22 ' B' ' 403' ' ' ILE . 6.3 tp -84.0 -37.66 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 75.13 111.118 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.56 -29.97 15.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.882 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -112.44 36.26 3.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 65.54 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.721 HD13 ' CE1' ' B' ' 406' ' ' PHE . 20.8 tp -53.36 107.3 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 61.41 110.954 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -127.81 69.89 1.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.15 110.819 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.584 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.1 m -51.64 -30.0 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 73.32 111.151 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -52.16 -40.78 61.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 71.21 110.867 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -75.8 -33.65 60.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.87 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.426 ' SG ' HG23 ' A' ' 359' ' ' ILE . 48.6 t -53.13 -51.02 63.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 70.04 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -61.71 -46.76 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 55.44 111.185 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -52.02 -34.71 44.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.841 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.76 -54.25 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.24 111.089 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.9 mt -52.57 -36.99 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 72.3 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.63 -49.04 77.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 44.25 110.877 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.54 -41.01 98.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 34.12 110.888 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.656 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.5 tm? -54.67 -37.33 65.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 52.31 110.899 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.545 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -73.99 -34.74 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 53.33 111.137 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -36.85 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.843 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.404 HD22 HH11 ' A' ' 351' ' ' ARG . 49.1 mt -64.94 111.93 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 63.21 110.919 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.81 76.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.925 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -88.27 144.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 44.12 111.126 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -101.72 173.85 6.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 72.12 111.192 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -38.3 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.23 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -51.93 -59.27 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 70.25 110.865 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -67.58 -35.98 80.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.873 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.4 78.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 73.34 111.08 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.8 -36.01 46.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.926 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -72.45 -34.75 67.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 71.12 110.874 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -95.39 35.67 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 70.14 110.85 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.525 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.1 OUTLIER -52.41 -35.32 51.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 63.35 111.147 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -60.85 -48.21 82.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 65.31 110.89 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.529 ' CE ' HD22 ' A' ' 352' ' ' LEU . 47.5 ttp -55.37 -39.99 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.902 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.775 ' HA ' HD12 ' A' ' 400' ' ' LEU . 4.6 mt -70.05 -37.96 73.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 64.34 111.122 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 11.6 m -62.61 -43.09 99.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 71.25 111.162 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 87.2 m -62.2 -34.72 76.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 64.32 111.143 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 397' ' ' ILE . 43.4 mt -58.16 -36.61 73.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.921 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -75.97 -28.97 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 75.05 110.893 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -74.61 -35.35 62.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 71.01 110.876 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.09 HG22 HD11 ' B' ' 365' ' ' ILE . 34.7 pt -74.61 -1.24 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -32.29 29.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.862 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -20.24 7.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.845 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -41.28 121.34 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 75.04 110.868 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.6 130.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 74.21 110.905 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.506 HG13 ' HE2' ' B' ' 406' ' ' PHE . 7.7 m -61.2 131.34 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 43.23 111.135 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 34.9 t -66.65 166.3 13.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.858 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -63.23 -36.54 83.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.949 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.5 p -54.04 -39.86 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 73.11 111.114 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.778 HD11 ' HB ' ' B' ' 370' ' ' VAL . 93.3 mt -69.24 -47.25 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.31 111.112 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.9 mtm -64.4 -32.77 74.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 65.12 110.886 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -53.75 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.897 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -60.69 -39.33 88.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.909 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 416' ' ' SER . . . . . 0.417 ' HB2' HD11 ' B' ' 403' ' ' ILE . 55.8 p -54.95 -48.88 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.853 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 31.3 m -56.02 -49.48 73.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 73.02 111.185 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.4 ttp -50.58 -44.26 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.888 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.62 HD13 HD12 ' B' ' 380' ' ' LEU . 59.3 mt -74.32 -39.39 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 71.2 110.914 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -60.07 -60.26 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.959 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -58.94 -35.06 72.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.915 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -54.85 -53.71 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.863 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.486 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 22.0 m-85 -69.68 -37.91 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -55.54 -44.51 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 63.42 110.86 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -56.3 -35.22 67.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 44.24 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 19.5 mtm -75.42 -34.98 61.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.841 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -71.62 -36.98 70.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 65.35 110.844 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.1 pp -84.63 -35.15 22.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.904 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.463 ' N ' HD12 ' A' ' 428' ' ' LEU . 97.3 t 57.88 90.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 70.12 111.127 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 173.62 125.28 0.83 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 25.3 112.533 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.41 138.13 56.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 75.24 110.848 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 178.75 35.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 64.41 112.507 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.32 -179.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 72.32 110.863 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.31 114.91 22.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.842 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 18.9 m -150.61 -179.66 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 45.03 111.072 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.491 HD12 ' OG1' ' A' ' 437' ' ' THR . 1.1 pt -119.81 165.22 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 70.31 111.12 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.491 ' OG1' HD12 ' A' ' 436' ' ' ILE . 0.6 OUTLIER 64.15 43.93 4.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 73.3 111.138 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.04 136.63 37.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.91 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 19.7 m -87.54 150.7 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 34.11 111.094 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.16 -46.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 61.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -58.2 174.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 64.43 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -115.9 -67.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.897 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 1.5 t -63.23 -50.89 68.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 75.3 110.895 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.1 -36.02 79.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 75.3 110.934 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.71 -35.31 42.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 72.32 111.117 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.27 -37.85 71.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -60.86 -55.93 27.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 64.54 110.937 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -58.05 -36.8 73.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 53.15 110.885 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' GLN . . . . . 0.524 ' O ' ' HB2' ' A' ' 453' ' ' ALA . 0.0 OUTLIER -51.92 -47.08 64.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.936 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -82.63 -45.1 14.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 75.51 110.851 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -52.13 -59.28 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.884 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -36.06 82.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.946 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 449' ' ' GLN . . . -51.89 -36.0 47.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.2 111.113 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -45.46 72.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.858 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.13 102.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.891 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.42 117.49 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 60.34 111.139 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.17 104.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.51 110.903 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -99.22 159.33 15.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.837 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -116.21 177.49 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 44.03 110.872 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 135.02 102.74 0.72 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 70.4 112.501 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -152.62 117.37 5.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.832 0.349 . . . . 74.2 110.944 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 tttm 52.57 -170.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 65.12 110.943 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 138.12 -175.04 21.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 54.43 112.499 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 124.02 10.69 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.266 . . . . 72.11 112.38 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -105.17 93.99 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 63.41 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.42 -59.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.901 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 65.2 110.895 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.844 0.354 . . . . 74.43 110.823 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 55.09 93.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.927 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . 63.47 165.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 50.42 111.115 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -177.3 178.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.065 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.49 155.24 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 61.04 110.87 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -133.53 155.26 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.91 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 63.72 102.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 65.14 111.097 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 59.6 p -64.31 -48.84 74.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 65.44 110.865 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.6 tpt -53.52 -36.79 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.862 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -73.43 -40.49 64.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.863 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 72.5 m -64.05 -37.52 87.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 65.45 110.904 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -76.74 -33.94 58.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 64.45 110.844 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.4 -34.76 61.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 63.21 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.68 -33.56 72.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 64.41 110.902 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -78.44 -37.4 43.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 71.42 110.849 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 48.5 mt -65.74 -39.82 85.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 75.43 111.165 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -71.85 -39.63 69.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.894 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.37 78.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 75.04 111.096 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.19 -38.92 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.45 110.864 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.599 HG22 HD12 ' B' ' 363' ' ' LEU . 53.8 mt -67.76 -34.62 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 62.43 111.167 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -61.6 -43.46 98.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.869 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -75.72 -32.13 59.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.2 110.89 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 30.6 p -81.37 -0.82 42.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 71.21 110.871 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.599 HD12 HG22 ' B' ' 359' ' ' ILE . 26.2 mt -120.58 26.16 9.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 45.15 110.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.69 170.45 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.922 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.09 HD11 HG22 ' A' ' 403' ' ' ILE . 5.8 tp -84.32 -38.32 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.11 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -92.59 -31.63 15.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.846 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -111.0 36.33 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 65.1 110.88 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.0 tp -53.42 107.37 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.949 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -127.1 70.3 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.87 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.778 ' HB ' HD11 ' A' ' 412' ' ' ILE . 15.7 m -51.84 -30.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 64.02 111.103 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -52.06 -40.61 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.921 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -75.76 -34.17 60.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 64.21 110.878 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.431 ' SG ' HG23 ' B' ' 359' ' ' ILE . 48.4 t -53.15 -50.94 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 61.02 110.895 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -61.22 -45.84 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 64.33 111.077 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -51.92 -35.93 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.56 -52.74 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.15 111.087 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 14.5 mt -52.22 -35.49 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 72.3 110.923 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.2 -49.17 78.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 54.03 110.849 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -45.09 95.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 62.51 110.89 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.667 HD13 ' O ' ' B' ' 380' ' ' LEU . 2.4 tm? -52.44 -36.42 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.938 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 381' ' ' ALA . . . . . 0.451 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -73.74 -34.59 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 71.22 111.101 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.03 -36.24 64.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 63.33 110.835 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.84 112.93 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 71.02 110.931 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -75.11 75.54 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 65.43 110.915 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.7 p -87.61 144.15 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 70.11 111.171 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -101.7 173.79 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 45.24 111.173 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -38.39 80.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 75.31 110.888 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -51.95 -59.2 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -67.2 -36.1 81.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.12 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.87 76.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 62.03 111.069 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.91 -35.98 47.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 71.43 110.902 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -71.78 -34.96 69.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 54.25 110.877 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -94.97 35.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 74.34 110.858 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.659 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.1 OUTLIER -51.51 -35.45 40.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 54.13 111.143 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.07 -49.01 79.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.901 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 396' ' ' MET . . . . . 0.548 ' HE3' HD21 ' B' ' 380' ' ' LEU . 47.0 ttp -55.39 -40.66 71.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.743 ' HA ' HD12 ' B' ' 400' ' ' LEU . 4.5 mt -66.72 -40.79 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 71.44 111.159 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 12.4 m -62.24 -44.47 96.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 55.43 111.155 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.4 m -59.5 -37.19 77.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 71.54 111.15 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' B' ' 397' ' ' ILE . 23.1 mt -58.53 -35.71 72.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.927 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -76.7 -28.75 55.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 60.31 110.883 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -74.91 -33.99 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.88 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 1.031 HG22 HD11 ' A' ' 365' ' ' ILE . 33.5 pt -75.38 -1.73 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 52.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -34.65 54.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.35 110.856 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.66 -14.19 8.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 65.42 110.855 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.721 ' CE1' HD13 ' A' ' 368' ' ' LEU . 5.6 t80 -45.19 113.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 70.24 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.69 133.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 62.2 110.931 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.406 HG22 ' O ' ' B' ' 409' ' ' SER . 2.5 p -59.54 135.49 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 71.22 111.127 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 409' ' ' SER . . . . . 0.406 ' O ' HG22 ' B' ' 408' ' ' VAL . 36.5 t -72.58 170.68 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 64.22 110.846 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -71.02 -34.79 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.897 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.42 -41.9 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.1 111.106 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.584 HD11 ' HB ' ' A' ' 370' ' ' VAL . 47.6 mt -73.18 -49.87 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.089 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.1 mtm -55.86 -31.92 63.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.86 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.2 -53.4 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -59.3 -39.68 83.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.941 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 97.2 p -56.37 -43.54 79.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 61.13 110.83 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 12.8 m -58.79 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 52.43 111.137 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.4 ttp -49.15 -41.89 37.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.879 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.579 HD13 HD12 ' A' ' 380' ' ' LEU . 60.4 mt -75.33 -34.74 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 43.52 110.926 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -61.46 -62.69 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.05 110.941 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -59.97 -32.17 70.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.889 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -53.09 -48.78 67.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 71.45 110.912 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -75.47 -40.92 56.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 54.34 110.907 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 424' ' ' LYS . . . . . 0.449 ' HG3' HD12 ' B' ' 444' ' ' LEU . 1.1 ttpm? -53.37 -47.7 69.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 71.03 110.921 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -52.01 -35.74 47.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 62.42 110.936 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 19.6 mtm -76.28 -35.38 58.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 74.43 110.886 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -71.53 -35.97 70.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 71.21 110.854 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.441 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.0 pp -85.74 -35.16 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.441 ' N ' HD12 ' B' ' 428' ' ' LEU . 97.6 t 57.95 93.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.159 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 171.95 125.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.701 -0.761 . . . . 42.01 112.46 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.03 138.28 55.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 62.22 110.903 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 178.76 35.55 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 64.44 112.482 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.06 -179.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.779 0.323 . . . . 74.12 110.873 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.41 114.92 22.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 63.33 110.836 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 19.0 m -150.64 -179.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 65.41 111.176 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.488 HD12 ' OG1' ' B' ' 437' ' ' THR . 1.1 pt -119.66 164.83 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 70.25 111.149 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.488 ' OG1' HD12 ' B' ' 436' ' ' ILE . 0.6 OUTLIER 64.29 43.91 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.13 111.146 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.07 136.63 36.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 54.42 110.896 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 19.6 m -87.47 150.8 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.11 111.172 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.13 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.911 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.22 174.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.841 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -116.01 -67.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.91 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 1.5 t -63.76 -50.42 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 55.1 110.851 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 444' ' ' LEU . . . . . 0.449 HD12 ' HG3' ' B' ' 424' ' ' LYS . 80.7 mt -68.74 -35.9 77.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.932 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.59 -35.78 42.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 72.51 111.134 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.13 -35.92 66.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.896 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.03 -48.39 80.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 75.01 110.927 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -66.22 -36.26 82.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 449' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' B' ' 453' ' ' ALA . 0.0 OUTLIER -52.05 -46.13 64.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.918 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -82.65 -45.6 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 65.3 110.865 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -52.06 -58.95 5.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.919 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -36.1 82.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 65.55 110.871 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 453' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' B' ' 449' ' ' GLN . . . -51.84 -36.45 48.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 64.13 111.087 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -45.6 70.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.868 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.0 102.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.867 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.77 117.73 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 63.12 111.139 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.13 104.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 73.2 110.906 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -99.16 159.44 14.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 72.44 110.838 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -116.35 177.44 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 60.35 110.932 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 135.01 102.81 0.73 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 71.53 112.504 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -152.63 117.44 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 72.41 110.859 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 tttm 52.45 -170.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 72.34 110.9 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 138.07 -175.06 21.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 65.23 112.471 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 124.22 10.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 74.05 112.315 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -105.24 94.08 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 71.54 110.883 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.4 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.33 110.886 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 61.23 110.891 179.849 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 93.8 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.898 0.38 . . . . 74.34 110.849 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 341' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 342' ' ' ALA . 0.7 OUTLIER 63.35 -169.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 73.04 110.905 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 342' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 343' ' ' ALA . . . 67.48 118.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 50.24 111.15 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 343' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 342' ' ' ALA . . . 67.88 137.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.098 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.35 50.1 3.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.888 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -106.08 148.95 27.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 71.32 110.868 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.16 110.0 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 73.11 111.083 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -47.33 62.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 60.3 110.865 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.59 -41.07 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.15 110.88 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.76 -35.63 65.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 75.24 110.883 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 36.7 t -71.31 -38.68 71.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 64.41 110.833 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -74.7 -33.99 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 74.54 110.867 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.583 HD23 HD12 ' A' ' 355' ' ' ILE . 12.9 mt -71.21 -47.51 56.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.976 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.49 -27.93 58.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.883 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -74.49 -35.93 63.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.895 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.583 HD12 HD23 ' A' ' 352' ' ' LEU . 53.0 mt -64.46 -42.82 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 73.14 111.109 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -71.93 -38.14 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.86 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.85 -44.69 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 63.02 111.078 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -55.05 -54.29 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 64.34 110.882 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.51 HG22 HD12 ' A' ' 363' ' ' LEU . 56.0 mt -55.77 -34.75 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.32 111.14 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -58.76 -49.23 78.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 71.35 110.886 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -74.85 -29.42 61.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 61.12 110.894 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 3.7 p -79.95 -1.08 37.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.832 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.51 HD12 HG22 ' A' ' 359' ' ' ILE . 36.7 mt -121.14 26.06 9.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 63.44 110.89 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 169.96 13.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 73.13 110.944 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 1.083 HD11 HG22 ' B' ' 403' ' ' ILE . 6.1 tp -84.62 -40.64 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 75.13 111.105 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.421 ' N ' HG23 ' A' ' 365' ' ' ILE . 7.2 p-10 -90.7 -32.74 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.864 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.2 36.56 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 65.54 110.9 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.567 HD13 ' CE1' ' B' ' 406' ' ' PHE . 16.5 tp -53.06 107.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 61.41 110.94 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -125.33 70.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 74.15 110.813 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.662 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.2 m -55.48 -29.94 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 73.32 111.139 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -52.06 -37.59 54.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.928 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -33.18 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.846 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.403 ' SG ' HG23 ' A' ' 359' ' ' ILE . 30.1 t -53.32 -55.37 25.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 70.04 110.905 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.29 -46.21 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 55.44 111.133 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.2 -34.68 64.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 74.11 110.947 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.457 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -73.77 -52.21 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.121 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 18.8 mt -52.03 -36.01 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 72.3 110.928 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.84 -49.18 78.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 44.25 110.868 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -58.9 -51.01 71.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 34.12 110.866 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.661 HD12 HD12 ' B' ' 419' ' ' LEU . 1.0 OUTLIER -51.67 -46.74 63.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 52.31 110.88 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.28 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 53.33 111.118 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -76.52 -35.61 58.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.852 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.77 117.16 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 63.21 110.935 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -84.11 54.82 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.02 110.932 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 385' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' A' ' 389' ' ' GLN . 6.1 p -67.06 137.79 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 44.12 111.165 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -95.3 172.58 8.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.134 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 13.4 tpt -52.69 -37.87 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.913 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -52.25 -59.18 4.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 70.25 110.922 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 389' ' ' GLN . . . . . 0.438 ' CB ' HG23 ' A' ' 385' ' ' VAL . 0.1 OUTLIER -70.79 -36.08 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 70.44 110.923 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.36 -51.19 67.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 73.34 111.135 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -52.89 -42.41 65.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.933 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -65.07 -35.64 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.911 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.421 ' CE1' HD12 ' A' ' 352' ' ' LEU . 80.6 m80 -95.31 35.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.14 110.834 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.675 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.2 OUTLIER -56.27 -40.8 74.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 63.35 111.144 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.46 -38.02 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 65.31 110.872 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.401 ' HE1' HD21 ' A' ' 380' ' ' LEU . 1.3 tmm? -64.75 -44.31 90.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.877 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.783 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.9 mt -63.25 -35.27 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 64.34 111.142 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 55.2 m -63.31 -47.94 80.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 71.25 111.168 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -56.06 -37.0 68.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 64.32 111.14 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 397' ' ' ILE . 24.5 mt -57.42 -35.01 69.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.88 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -28.86 54.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 75.05 110.883 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -75.88 -33.98 59.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 71.01 110.871 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.003 HG22 HD11 ' B' ' 365' ' ' ILE . 39.3 pt -74.37 -1.68 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 75.44 111.136 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -79.62 -34.19 40.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 64.01 110.854 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.59 -19.29 8.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.871 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.525 ' CE1' HG13 ' B' ' 408' ' ' VAL . 0.8 OUTLIER -41.34 114.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 75.04 110.868 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.408 ' HD2' ' HD2' ' B' ' 407' ' ' LYS . 6.9 ttpp -177.53 133.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 74.21 110.883 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.578 HG13 ' HE2' ' B' ' 406' ' ' PHE . 2.8 m -56.98 142.5 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 43.23 111.129 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.91 166.15 23.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.866 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -35.3 78.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.893 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 23.4 t -56.1 -50.32 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.11 111.157 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.677 HD11 ' HB ' ' B' ' 370' ' ' VAL . 84.2 mt -60.79 -53.09 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.125 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 31.7 mtm -56.76 -32.5 65.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 65.12 110.868 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -74.47 -53.49 9.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 73.25 110.913 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -58.86 -40.02 83.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.923 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 91.4 p -55.05 -48.52 73.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 52.2 m -53.94 -50.61 66.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 73.02 111.184 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -48.93 -50.32 35.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 71.21 110.876 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' B' ' 380' ' ' LEU . 9.2 mp -69.35 -34.77 75.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 71.2 110.912 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -59.23 -62.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.895 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -62.28 -30.79 71.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 73.14 110.876 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -53.95 -51.09 64.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.891 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 45.0 m-85 -75.63 -35.65 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 74.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.88 -44.29 63.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 63.42 110.862 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -60.23 -35.73 76.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 44.24 110.861 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 5.8 mtm -77.7 -34.67 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.836 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -73.18 -35.88 66.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 65.35 110.873 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.475 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.3 pp -85.3 -35.67 21.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 74.31 110.941 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.475 ' N ' HD12 ' A' ' 428' ' ' LEU . 99.2 t 56.61 86.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 70.12 111.147 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 61.69 -95.35 0.1 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 25.3 112.495 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -149.86 179.38 8.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 75.24 110.862 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -111.26 -123.68 4.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 64.41 112.522 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.05 168.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.842 0.353 . . . . 72.32 110.868 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 1.5 m -137.63 60.92 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 75.02 110.826 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.86 66.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 45.03 111.092 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 15.9 mt 69.68 -72.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 70.31 111.107 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 17.2 p -49.94 148.57 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 73.3 111.139 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.82 141.88 46.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.926 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 14.9 m -102.46 177.26 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 34.11 111.099 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.29 -41.0 1.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 61.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -169.32 175.03 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 64.43 110.913 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -116.12 -68.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.884 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -55.1 19.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 75.3 110.83 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.3 -34.67 78.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 75.3 110.92 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.39 -35.03 37.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 72.32 111.131 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -54.95 -60.78 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 72.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -40.07 77.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 64.54 110.9 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -52.03 -32.82 35.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 53.15 110.89 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 453' ' ' ALA . 2.0 mt-30 -51.33 -55.59 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.955 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -82.8 -45.6 14.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 75.51 110.877 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -51.18 -59.32 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 75.33 110.888 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.15 -35.94 82.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 75.21 110.889 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 449' ' ' GLN . . . -51.63 -36.08 44.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 74.2 111.154 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.49 -36.51 22.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 74.14 110.903 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -170.04 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.14 110.914 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.1 t -172.72 72.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 60.34 111.109 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.28 164.8 28.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 72.51 110.888 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -88.83 -170.64 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 75.11 110.854 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -142.16 -73.93 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 44.03 110.946 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 58.05 -126.5 42.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 70.4 112.485 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.07 104.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 74.2 110.943 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.8 tttm 62.72 164.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 65.12 110.903 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 170.56 74.57 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 54.43 112.494 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 167.27 24.9 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.659 2.239 . . . . 72.11 112.328 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -75.32 179.01 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.903 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -110.71 43.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 73.41 110.925 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 65.2 110.952 179.844 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.855 0.359 . . . . 74.43 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.37 99.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 74.02 110.9 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . 179.78 34.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 50.42 111.077 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . 179.59 129.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 75.44 111.115 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 53.78 56.01 7.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 61.04 110.894 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -88.09 154.6 20.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 74.35 110.89 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.06 108.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 65.14 111.129 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -47.6 58.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 65.44 110.825 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.5 tpt -60.81 -40.89 94.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.02 110.854 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -73.43 -36.15 65.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.847 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 36.5 t -70.59 -39.5 73.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 65.45 110.843 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -74.28 -34.11 63.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 64.45 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' B' ' 352' ' ' LEU . 12.8 mt -71.1 -47.85 55.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 63.21 110.926 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -57.32 -28.56 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 64.41 110.925 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -71.73 -38.35 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 71.42 110.842 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.699 HG23 ' HB1' ' B' ' 376' ' ' ALA . 88.9 mt -65.13 -40.12 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.43 111.108 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -71.34 -38.52 71.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.904 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.02 -43.0 65.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.04 111.13 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -55.3 -54.15 47.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.914 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.528 HG22 HD12 ' B' ' 363' ' ' LEU . 56.1 mt -55.22 -35.29 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.43 111.131 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -59.78 -46.11 90.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.844 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -75.94 -29.61 58.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.886 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -81.19 -0.84 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 71.21 110.89 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.528 HD12 HG22 ' B' ' 359' ' ' ILE . 40.1 mt -121.45 26.49 8.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 45.15 110.904 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 171.66 10.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.841 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.003 HD11 HG22 ' A' ' 403' ' ' ILE . 5.5 tp -84.43 -42.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.153 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.449 ' N ' HG23 ' B' ' 365' ' ' ILE . 7.2 p-10 -90.81 -32.32 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.852 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.11 36.18 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 65.1 110.879 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.6 107.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.904 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -126.84 70.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.837 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.677 ' HB ' HD11 ' A' ' 412' ' ' ILE . 6.3 m -56.11 -29.51 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 64.02 111.146 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -52.09 -38.05 56.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.84 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -32.81 60.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 64.21 110.876 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.436 ' SG ' HG23 ' B' ' 359' ' ' ILE . 34.1 t -53.09 -55.03 27.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 61.02 110.875 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.61 -44.95 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 64.33 111.113 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.79 -35.54 63.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 75.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.699 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -73.6 -50.82 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 73.15 111.067 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.29 -36.05 51.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 72.3 110.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.75 -49.17 78.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 54.03 110.825 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.03 -50.79 72.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 62.51 110.913 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 423' ' ' PHE . 0.9 OUTLIER -52.13 -49.8 62.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.928 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.84 -34.56 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.22 111.085 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -76.53 -35.5 58.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 63.33 110.832 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.47 117.1 6.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 71.02 110.925 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -84.5 54.7 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 65.43 110.894 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 385' ' ' VAL . . . . . 0.434 HG23 ' CB ' ' B' ' 389' ' ' GLN . 5.9 p -66.97 138.12 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 70.11 111.122 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -95.21 172.76 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 45.24 111.148 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 13.5 tpt -53.14 -37.6 61.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.858 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -52.44 -59.05 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.893 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 389' ' ' GLN . . . . . 0.434 ' CB ' HG23 ' B' ' 385' ' ' VAL . 0.1 OUTLIER -70.89 -36.48 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.91 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -54.97 -50.96 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 62.03 111.045 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -53.1 -41.19 64.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.923 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -65.68 -35.78 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 54.25 110.956 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -95.41 35.56 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.879 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.621 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.2 OUTLIER -55.31 -41.86 72.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 54.13 111.118 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.49 -36.14 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 74.34 110.837 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -65.43 -45.54 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.43 110.895 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.779 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.5 mt -62.44 -35.18 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 71.44 111.141 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 53.3 m -63.66 -47.52 80.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 55.43 111.175 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.4 m -56.58 -35.01 67.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 71.54 111.184 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' B' ' 397' ' ' ILE . 26.3 mt -59.99 -35.77 75.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.929 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -28.84 56.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 60.31 110.894 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -74.98 -35.33 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.876 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 1.083 HG22 HD11 ' A' ' 365' ' ' ILE . 33.6 pt -73.84 -1.6 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 52.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.08 -34.9 50.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.875 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.75 -16.93 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 65.42 110.862 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.578 ' HE2' HG13 ' A' ' 408' ' ' VAL . 1.2 t80 -43.54 116.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.896 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 407' ' ' LYS . . . . . 0.408 ' HD2' ' HD2' ' A' ' 407' ' ' LYS . 9.6 ttpp -179.26 139.36 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 62.2 110.965 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.525 HG13 ' CE1' ' A' ' 406' ' ' PHE . 2.9 m -59.17 146.86 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 71.22 111.118 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.1 165.85 20.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 64.22 110.823 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.34 -35.91 78.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.876 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.82 -50.69 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.098 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.662 HD11 ' HB ' ' A' ' 370' ' ' VAL . 80.9 mt -60.02 -51.11 76.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 71.34 111.172 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 31.9 mtm -57.17 -33.77 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.898 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -53.52 9.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.877 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -56.93 -40.07 75.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.869 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.0 p -54.72 -52.21 63.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 61.13 110.87 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.9 m -52.51 -44.27 65.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 52.43 111.177 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -51.95 -52.5 49.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.892 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.661 HD12 HD12 ' A' ' 380' ' ' LEU . 3.6 mm? -69.71 -37.88 76.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 43.52 110.895 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -57.94 -56.07 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 75.05 110.946 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -65.43 -34.51 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.836 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -54.4 -53.81 49.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.903 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.501 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 38.9 m-85 -69.85 -35.97 75.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 54.34 110.923 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -52.05 -44.13 64.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 71.03 110.87 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.03 -35.78 77.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 62.42 110.932 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 5.9 mtm -77.24 -33.97 55.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 74.43 110.879 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -74.13 -36.11 64.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 71.21 110.831 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.491 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.3 pp -85.01 -35.5 21.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 72.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.491 ' N ' HD12 ' B' ' 428' ' ' LEU . 95.9 t 55.55 84.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 74.44 111.133 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 430' ' ' GLY . . . . . 0.443 ' N ' HD12 ' B' ' 428' ' ' LEU . . . 63.21 -94.61 0.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.719 -0.753 . . . . 42.01 112.518 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -150.4 -179.2 7.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.886 0.374 . . . . 62.22 110.873 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -112.51 -122.66 4.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 64.44 112.479 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.14 169.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 74.12 110.853 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 1.5 m -131.88 35.56 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 63.33 110.866 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.41 ' O ' HG23 ' B' ' 435' ' ' VAL . 4.6 m -116.17 101.2 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 65.41 111.165 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.401 HG22 ' N ' ' B' ' 437' ' ' THR . 16.7 mt 65.66 155.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 70.25 111.149 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.401 ' N ' HG22 ' B' ' 436' ' ' ILE . 16.9 p -51.21 121.84 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.13 111.154 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -179.13 104.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 54.42 110.923 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 7.3 m -152.71 148.56 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 74.11 111.1 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.25 -74.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.09 175.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.888 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -116.35 -68.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.898 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -55.12 14.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 55.1 110.85 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.56 -34.53 78.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 73.22 110.875 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.56 -35.14 39.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.51 111.101 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.14 -60.8 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.879 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -40.48 78.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.902 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -51.79 -32.68 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 73.21 110.887 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 449' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' B' ' 453' ' ' ALA . 2.0 mt-30 -51.22 -56.19 14.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.909 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -82.79 -45.36 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 65.3 110.901 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -51.03 -59.5 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 75.43 110.833 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.36 -35.81 82.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 65.55 110.866 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 453' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' B' ' 449' ' ' GLN . . . -51.56 -36.3 44.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 64.13 111.066 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.03 -36.6 23.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 73.42 110.867 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.73 -170.02 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 72.25 110.864 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 2.1 t -172.62 72.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 63.12 111.145 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.04 164.5 28.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.898 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -88.55 -170.94 3.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 72.44 110.882 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -141.92 -73.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 60.35 110.888 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 58.02 -126.49 42.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 71.53 112.459 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.22 104.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 72.41 110.872 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 62.66 164.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 72.34 110.886 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 170.3 74.51 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 65.23 112.479 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 167.33 24.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.264 . . . . 74.05 112.316 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -75.26 179.4 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 71.54 110.86 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -111.09 43.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.918 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 61.23 110.894 179.863 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.893 0.378 . . . . 74.34 110.861 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -117.9 -60.76 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 73.04 110.875 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . 55.48 -170.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 50.24 111.083 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . 61.53 170.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.085 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 36.5 t -158.61 120.02 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 73.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.2 169.68 12.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 71.32 110.872 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 14.2 p 49.89 42.91 24.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 73.11 111.098 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 1.4 t -55.12 -44.82 75.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 60.3 110.831 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.1 tpt -54.57 -43.67 72.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 71.15 110.89 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.51 -35.86 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.849 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.9 t -63.8 -40.75 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 64.41 110.892 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -33.29 62.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 74.54 110.867 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.652 ' HA ' HD12 ' A' ' 355' ' ' ILE . 12.8 mt -70.87 -47.44 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.917 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -57.69 -27.94 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.869 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.95 -37.3 55.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.854 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 352' ' ' LEU . 20.9 mt -65.12 -40.08 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.14 111.125 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -71.96 -40.47 68.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.891 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.52 72.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 63.02 111.096 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.07 -51.14 67.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 64.34 110.856 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.571 HG22 HD12 ' A' ' 363' ' ' LEU . 50.1 mt -57.71 -34.89 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.32 111.126 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -61.12 -45.28 95.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 71.35 110.919 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -75.64 -28.0 58.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 61.12 110.871 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.1 p -84.61 -1.23 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 73.51 110.872 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.571 HD12 HG22 ' A' ' 359' ' ' ILE . 28.0 mt -121.69 26.26 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 63.44 110.901 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 170.87 12.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.13 110.938 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 1.054 HD11 HG22 ' B' ' 403' ' ' ILE . 6.2 tp -84.69 -38.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 75.13 111.155 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -93.0 -30.71 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.853 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -111.86 36.26 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 65.54 110.86 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.7 HD13 ' CE1' ' B' ' 406' ' ' PHE . 20.4 tp -53.67 107.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.866 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -127.11 70.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 74.15 110.9 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.663 ' HB ' HD11 ' B' ' 412' ' ' ILE . 5.5 m -53.12 -28.17 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 73.32 111.161 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -51.75 -41.01 61.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 71.21 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -75.8 -32.26 59.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.905 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.428 ' SG ' HG23 ' A' ' 359' ' ' ILE . 20.5 t -52.97 -60.34 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 70.04 110.911 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.4 mt -53.44 -44.74 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 55.44 111.157 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.21 -35.38 62.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.886 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.5 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.03 -51.17 12.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.037 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.75 HD23 HD12 ' B' ' 419' ' ' LEU . 2.2 mt -51.94 -35.69 46.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 72.3 110.922 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.53 -49.22 76.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 44.25 110.849 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.0 -45.85 86.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 34.12 110.912 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.594 HD11 ' HZ ' ' B' ' 423' ' ' PHE . 1.3 tm? -52.37 -47.63 66.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 52.31 110.904 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.89 -35.09 74.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 53.33 111.07 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -72.33 -35.95 68.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.863 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.78 108.26 3.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 63.21 110.891 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -77.72 59.83 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.02 110.924 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.62 137.42 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 44.12 111.119 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -91.91 173.01 8.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 72.12 111.113 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -38.44 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.877 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -54.37 -58.94 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 70.25 110.909 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.34 -35.63 78.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.956 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.43 89.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.34 111.119 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -51.69 -36.13 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 75.25 110.938 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -72.07 -35.02 69.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.12 110.925 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -95.29 35.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 70.14 110.841 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.477 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.2 OUTLIER -57.44 -35.56 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.35 111.11 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.3 -40.79 91.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 65.31 110.915 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.577 ' HE1' HD22 ' A' ' 352' ' ' LEU . 27.5 ttp -55.54 -43.6 75.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 74.31 110.91 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.614 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.0 mt -66.16 -39.19 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 64.34 111.111 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 20.8 m -54.03 -35.37 61.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 71.25 111.153 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.4 m -74.32 -40.62 62.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 64.32 111.15 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 397' ' ' ILE . 72.6 mt -51.46 -39.02 56.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 73.43 110.927 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -76.14 -29.29 57.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.05 110.881 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -74.67 -34.87 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 71.01 110.907 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.09 HG22 HD11 ' B' ' 365' ' ' ILE . 38.2 pt -74.93 -1.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.44 111.104 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -32.16 27.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 64.01 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.33 -20.63 8.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.44 110.9 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.442 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -41.24 120.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.853 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.54 135.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.941 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.13 131.98 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 43.23 111.13 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 1.8 m -64.38 166.14 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.819 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -64.48 -33.3 75.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.896 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.97 -39.16 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 73.11 111.112 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.799 HD11 ' HB ' ' B' ' 370' ' ' VAL . 83.7 mt -64.12 -51.63 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.31 111.126 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 23.0 ptp -66.09 -30.9 71.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 65.12 110.869 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.9 -50.52 48.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 73.25 110.872 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -65.4 -38.13 89.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.847 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 416' ' ' SER . . . . . 0.428 ' HB2' HD11 ' B' ' 403' ' ' ILE . 54.8 p -54.99 -48.79 72.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 71.33 110.858 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 38.6 m -55.12 -48.28 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.02 111.16 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 2.2 ttp -51.82 -47.06 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 71.21 110.85 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.856 HD12 HD12 ' B' ' 380' ' ' LEU . 4.4 mm? -70.22 -43.68 70.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 71.2 110.886 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -52.15 -48.86 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.933 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.23 -35.55 80.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 73.14 110.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -53.33 -53.86 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.886 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.484 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 22.0 m-85 -75.63 -36.12 60.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 74.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -56.81 -40.51 76.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 63.42 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.53 -35.19 80.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 44.24 110.876 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 34.7 mtm -74.88 -35.28 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.872 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.509 ' CE2' HD13 ' B' ' 397' ' ' ILE . 22.5 m-85 -70.41 -37.0 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 65.35 110.889 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.5 pp -84.7 -34.7 22.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.943 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.535 ' N ' HD12 ' A' ' 428' ' ' LEU . 99.4 t 58.61 84.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 70.12 111.158 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -176.28 39.28 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 25.3 112.483 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.27 -40.9 62.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 75.24 110.926 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -133.78 33.09 2.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 64.41 112.491 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -164.56 35.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 72.32 110.879 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 31.4 p -70.17 -170.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.82 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.03 140.44 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 45.03 111.155 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 50.3 mt -50.1 -68.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 70.31 111.121 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -21.6 45.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.15 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 68.11 153.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 73.44 110.961 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 8.4 m -146.23 148.71 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 34.11 111.123 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 445' ' ' ALA . 4.1 mm? -81.89 77.42 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 61.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ASN . . . . . 0.639 ' ND2' HD12 ' A' ' 444' ' ' LEU . 1.3 t-20 63.19 170.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 64.43 110.93 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -116.0 -68.13 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.878 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 75.6 m -62.15 -54.83 35.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.839 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' LEU . . . . . 0.639 HD12 ' ND2' ' A' ' 441' ' ' ASN . 35.2 mt -63.8 -33.85 76.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 75.3 110.961 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 440' ' ' LEU . . . -50.38 -33.55 20.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.32 111.101 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -54.96 -59.17 5.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 72.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -73.07 -42.77 62.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 64.54 110.893 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -35.4 45.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 53.15 110.865 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -51.83 -42.22 62.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.865 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 450' ' ' HIS . . . . . 0.434 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 0.0 OUTLIER -82.72 -49.47 9.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 75.51 110.843 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -51.63 -59.44 4.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.89 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.48 -36.01 73.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 75.21 110.923 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 450' ' ' HIS . . . -51.7 -35.61 43.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 74.2 111.058 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.9 -39.41 35.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 74.14 110.875 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -169.83 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.946 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.32 175.69 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 60.34 111.119 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.5 172.3 13.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.885 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.69 161.01 3.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.837 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -135.2 159.77 40.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 44.03 110.898 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -112.77 -129.97 5.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 70.4 112.446 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.93 131.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 74.2 110.951 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.58 -63.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 65.12 110.923 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 91.24 165.85 40.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 54.43 112.534 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 157.51 60.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 72.11 112.356 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -152.75 118.67 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 63.41 110.85 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.42 -172.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.921 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 2.2 tttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 65.2 110.91 179.847 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.893 0.378 . . . . 74.43 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -118.0 -60.63 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 74.02 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . 55.4 -169.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 50.42 111.073 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . 61.64 171.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 75.44 111.086 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 36.9 t -158.66 120.26 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 61.04 110.882 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.38 169.43 12.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.873 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 14.2 p 49.78 43.02 24.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 65.14 111.146 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 1.4 t -55.22 -45.69 75.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 65.44 110.82 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.1 tpt -53.09 -43.69 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.02 110.92 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.07 -36.7 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.83 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.9 t -62.53 -41.42 98.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 65.45 110.835 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.51 -33.68 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 64.45 110.885 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.729 ' HA ' HD12 ' B' ' 355' ' ' ILE . 14.3 mt -71.35 -47.74 54.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 63.21 110.922 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -58.12 -29.26 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 64.41 110.907 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.18 -37.51 61.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 71.42 110.839 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' B' ' 352' ' ' LEU . 14.2 mt -65.16 -39.29 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.43 111.095 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -71.64 -39.53 70.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.875 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.48 -42.25 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 75.04 111.137 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -55.21 -50.67 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 74.45 110.921 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.566 HG22 HD12 ' B' ' 363' ' ' LEU . 50.6 mt -57.55 -34.94 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 62.43 111.14 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -59.07 -51.34 70.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.875 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -70.63 -30.84 67.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 75.2 110.852 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.7 p -80.04 -2.4 44.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.889 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.566 HD12 HG22 ' B' ' 359' ' ' ILE . 27.8 mt -121.68 26.17 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 45.15 110.92 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -71.72 169.96 14.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.867 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.09 HD11 HG22 ' A' ' 403' ' ' ILE . 6.0 tp -84.11 -38.64 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.111 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -93.31 -30.82 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.842 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -112.01 36.31 3.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 65.1 110.865 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.6 tp -53.48 107.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -125.85 68.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.86 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.799 ' HB ' HD11 ' A' ' 412' ' ' ILE . 17.6 m -51.66 -29.85 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 64.02 111.131 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -52.05 -40.4 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.904 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -75.78 -32.48 59.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 64.21 110.891 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' B' ' 359' ' ' ILE . 22.4 t -52.98 -59.21 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 61.02 110.875 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.5 mt -53.6 -44.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 64.33 111.169 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.99 -36.45 60.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.627 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.93 -48.34 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.15 111.122 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 2.1 mt -52.2 -35.35 48.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 72.3 110.88 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.87 -49.05 69.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 54.03 110.868 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.22 -46.21 79.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.51 110.911 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.856 HD12 HD12 ' A' ' 419' ' ' LEU . 0.4 OUTLIER -52.47 -52.15 55.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.31 110.914 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.25 66.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 71.22 111.121 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -72.53 -36.81 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 63.33 110.847 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.8 mt -70.06 108.27 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.02 110.9 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -77.63 60.03 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 65.43 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.1 p -69.23 137.14 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 70.11 111.129 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -90.46 173.31 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 45.24 111.146 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -38.63 74.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.31 110.88 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -53.64 -58.02 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.935 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -69.32 -36.27 76.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.12 110.882 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.1 88.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 62.03 111.079 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -52.49 -36.17 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 71.43 110.888 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -71.08 -35.55 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 54.25 110.894 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -95.26 35.57 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.843 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.448 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.2 OUTLIER -56.37 -35.53 67.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 54.13 111.116 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.06 -40.85 86.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.917 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 396' ' ' MET . . . . . 0.558 ' HE3' HD21 ' B' ' 380' ' ' LEU . 20.2 ttp -55.37 -47.64 75.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.85 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.616 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.8 mp -60.59 -41.18 86.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 71.44 111.125 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 23.9 m -54.08 -35.66 62.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 55.43 111.103 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.7 m -73.22 -43.11 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.54 111.154 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' B' ' 397' ' ' ILE . 46.4 mt -51.7 -38.26 54.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.935 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -76.77 -28.96 55.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 60.31 110.882 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -74.95 -33.98 62.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.904 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 1.054 HG22 HD11 ' A' ' 365' ' ' ILE . 35.9 pt -75.29 -2.17 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 52.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -34.23 55.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 71.35 110.89 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.53 -15.03 9.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 65.42 110.878 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.7 ' CE1' HD13 ' A' ' 368' ' ' LEU . 10.9 t80 -45.11 108.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 70.24 110.867 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.99 136.05 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 62.2 110.857 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.7 p -58.32 135.22 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 71.22 111.13 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 1.7 m -65.56 175.42 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 64.22 110.872 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -78.79 -33.0 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.932 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.24 -37.47 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.12 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.663 HD11 ' HB ' ' A' ' 370' ' ' VAL . 90.5 mt -65.97 -49.84 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 71.34 111.164 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.0 ptp -63.51 -33.15 74.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.13 110.859 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -50.5 48.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.869 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -62.89 -39.74 95.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.94 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.457 ' HB2' HD11 ' A' ' 403' ' ' ILE . 54.0 p -54.78 -45.94 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 61.13 110.883 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 36.6 m -57.83 -46.26 84.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 52.43 111.127 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 2.2 ttp -54.41 -44.23 72.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.942 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.75 HD12 HD23 ' A' ' 377' ' ' LEU . 28.9 mt -73.14 -41.36 64.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 43.52 110.921 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -53.61 -49.37 67.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.917 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -65.46 -34.77 79.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.851 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -53.18 -53.3 52.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 71.45 110.888 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.594 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 95.7 m-85 -74.41 -39.8 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 54.34 110.889 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -54.68 -41.92 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 71.03 110.883 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -64.04 -35.98 82.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 62.42 110.89 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 34.4 mtm -75.57 -35.12 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.887 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 427' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 397' ' ' ILE . 20.3 m-85 -70.86 -37.02 73.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 71.21 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.528 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.5 pp -84.37 -34.95 23.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 72.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.528 ' N ' HD12 ' B' ' 428' ' ' LEU . 99.3 t 58.26 83.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 74.44 111.151 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 430' ' ' GLY . . . . . 0.437 ' N ' HD12 ' B' ' 428' ' ' LEU . . . -174.88 38.54 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 42.01 112.49 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.02 -35.91 48.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 62.22 110.875 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -136.95 33.77 2.28 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 64.44 112.468 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -167.81 47.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.894 0.378 . . . . 74.12 110.888 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 32.0 p -59.68 -174.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 63.33 110.831 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.753 HG12 ' CG1' ' B' ' 436' ' ' ILE . 20.5 t -116.15 135.23 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 65.41 111.165 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.753 ' CG1' HG12 ' B' ' 435' ' ' VAL . 0.2 OUTLIER 49.24 -169.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 70.25 111.151 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.476 ' H ' HG22 ' B' ' 436' ' ' ILE . 0.2 OUTLIER -50.94 -34.18 27.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.13 111.151 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 177.21 -178.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 54.42 110.894 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 3.2 p -168.63 139.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.11 111.124 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 440' ' ' LEU . . . . . 0.448 ' O ' ' HB2' ' B' ' 445' ' ' ALA . 4.1 mm? -96.83 72.52 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.25 110.892 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 441' ' ' ASN . . . . . 0.503 ' OD1' HD12 ' B' ' 444' ' ' LEU . 0.1 OUTLIER 61.08 168.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 71.33 110.897 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -116.04 -67.34 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.897 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 75.8 m -62.93 -55.04 29.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 55.1 110.876 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 444' ' ' LEU . . . . . 0.503 HD12 ' OD1' ' B' ' 441' ' ' ASN . 34.5 mt -63.63 -33.68 76.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 73.22 110.935 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 445' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' B' ' 440' ' ' LEU . . . -50.26 -33.73 20.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.51 111.13 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.93 -59.31 4.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.866 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -72.69 -43.19 63.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 75.01 110.921 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -35.03 42.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.906 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -51.84 -42.86 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 73.21 110.927 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 450' ' ' HIS . . . . . 0.426 ' O ' ' HB3' ' B' ' 453' ' ' ALA . 0.0 OUTLIER -82.69 -49.02 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 65.3 110.868 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -51.64 -59.37 4.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 75.43 110.933 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.8 -35.85 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 65.55 110.905 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 453' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' B' ' 450' ' ' HIS . . . -51.46 -35.64 40.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 64.13 111.127 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.79 -39.26 36.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.907 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -169.7 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 72.25 110.894 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.21 174.81 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 63.12 111.137 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.91 171.85 14.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 73.2 110.906 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.31 160.81 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.841 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -134.92 159.44 41.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 60.35 110.937 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -112.36 -129.71 5.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 71.53 112.469 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.9 131.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 72.41 110.87 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.5 -63.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 72.34 110.892 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 91.1 166.0 40.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.77 -0.729 . . . . 65.23 112.459 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 157.48 60.2 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.237 . . . . 74.05 112.339 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -152.72 118.54 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 71.54 110.882 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.6 -172.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.907 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.2 tttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 61.23 110.92 179.85 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.917 0.389 . . . . 74.34 110.856 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.86 158.34 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 73.04 110.825 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -161.31 179.5 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 50.24 111.085 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -102.14 -169.98 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.12 111.138 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.11 -70.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 73.0 110.881 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -122.52 -171.56 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.32 110.913 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 346' ' ' THR . . . . . 0.593 HG23 ' HB3' ' A' ' 349' ' ' ASP . 6.4 t -53.21 143.67 17.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 73.11 111.105 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.6 m -71.57 -39.12 70.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 60.3 110.817 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -35.66 60.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 71.15 110.928 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 349' ' ' ASP . . . . . 0.593 ' HB3' HG23 ' A' ' 346' ' ' THR . 6.1 t70 -73.68 -45.54 51.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 75.24 110.891 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.23 -38.91 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.829 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -74.91 -33.96 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 74.54 110.876 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.628 ' HA ' HD12 ' A' ' 355' ' ' ILE . 5.9 mt -71.25 -47.46 57.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.95 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -56.37 -28.7 59.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.901 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -76.91 -38.13 54.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.873 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 352' ' ' LEU . 24.2 mt -64.15 -38.59 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.117 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -71.89 -39.22 69.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.841 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.87 -42.17 67.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 63.02 111.087 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -54.91 -38.27 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 64.34 110.921 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.485 HG23 ' SG ' ' A' ' 373' ' ' CYS . 38.2 mt -74.41 -33.87 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 73.32 111.117 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -61.8 -52.43 64.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 71.35 110.894 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -71.45 -29.63 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 61.12 110.928 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 15.7 m -74.75 -26.73 59.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.887 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 363' ' ' LEU . 32.0 mt -94.43 26.55 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 63.44 110.915 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.13 170.1 7.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.883 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 0.958 HD11 HG22 ' B' ' 403' ' ' ILE . 5.7 tp -84.65 -40.96 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.13 111.123 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.422 ' N ' HG23 ' A' ' 365' ' ' ILE . 13.1 p-10 -91.7 -32.6 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.875 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -105.08 36.63 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 65.54 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' B' ' 406' ' ' PHE . 16.3 tp -55.83 106.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 61.41 110.95 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.29 71.64 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.15 110.84 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.77 ' HB ' HD11 ' B' ' 412' ' ' ILE . 17.4 m -51.87 -28.01 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.098 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -51.11 -40.46 58.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.909 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -76.42 -33.31 58.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.858 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.485 ' SG ' HG23 ' A' ' 359' ' ' ILE . 7.4 t -53.23 -59.39 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.914 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.09 -48.27 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 55.44 111.128 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -51.55 -35.6 41.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.857 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.96 -53.17 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.082 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.91 -45.05 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 72.3 110.929 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.92 -37.37 79.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 44.25 110.899 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -65.32 -47.45 76.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 34.12 110.847 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.693 HD23 HD12 ' A' ' 383' ' ' LEU . 0.0 OUTLIER -52.04 -54.0 35.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 52.31 110.896 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.564 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -55.08 -21.43 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 53.33 111.074 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -98.96 26.71 5.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.828 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.693 HD12 HD23 ' A' ' 380' ' ' LEU . 36.6 mt -109.96 -30.02 7.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 63.21 110.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 50.84 42.79 28.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.922 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.92 145.03 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 44.12 111.111 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -87.58 175.46 7.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 72.12 111.128 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 1.8 ttt -62.64 -38.85 91.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.861 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.67 -54.5 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 70.25 110.919 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.2 -35.4 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 70.44 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.49 88.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.115 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -51.83 -44.53 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 75.25 110.955 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -35.31 80.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.49 35.56 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 70.14 110.868 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.707 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.2 OUTLIER -58.61 -36.27 73.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 63.35 111.146 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.47 -41.4 98.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.896 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.46 ' CE ' HD22 ' A' ' 352' ' ' LEU . 3.1 tmm? -57.1 -37.56 72.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.907 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.714 ' HA ' HD12 ' A' ' 400' ' ' LEU . 4.3 mt -70.04 -38.32 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 64.34 111.163 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 91.9 m -58.09 -40.33 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 71.25 111.118 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.1 m -65.36 -36.16 83.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.136 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 397' ' ' ILE . 48.9 mt -57.6 -37.27 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.881 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -75.49 -29.03 59.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.925 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -74.34 -35.89 63.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.01 110.957 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 0.939 HG22 HD11 ' B' ' 365' ' ' ILE . 33.8 pt -74.21 -1.53 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.44 111.128 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -33.12 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 64.01 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -20.25 7.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.869 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.474 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.8 120.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 75.04 110.916 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 407' ' ' LYS . . . . . 0.514 ' HE2' HG22 ' B' ' 456' ' ' THR . 11.6 pttt -175.53 141.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.885 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.545 HG22 ' HB ' ' A' ' 412' ' ' ILE . 9.2 p -62.1 136.49 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 43.23 111.138 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 7.7 t -67.66 179.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.856 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -79.75 -38.94 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 74.23 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.7 p -60.0 -39.53 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 73.11 111.112 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.756 HD11 ' HB ' ' B' ' 370' ' ' VAL . 92.7 mt -64.48 -54.15 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.177 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 413' ' ' MET . . . . . 0.5 ' HE2' HG13 ' A' ' 408' ' ' VAL . 16.7 ptp -62.26 -32.45 73.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 65.12 110.835 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.38 -36.04 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.896 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -76.57 -36.06 57.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 75.21 110.93 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.1 p -56.38 -47.74 78.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 71.33 110.85 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 97.2 m -53.93 -46.12 71.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 73.02 111.102 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.9 tpt -50.8 -48.92 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 71.21 110.869 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.984 HD13 HD23 ' B' ' 380' ' ' LEU . 25.2 mt -73.53 -35.61 65.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 71.2 110.911 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -60.88 -58.43 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.869 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.5 -34.67 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.92 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -53.87 -53.26 55.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.876 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -70.12 -41.93 73.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 74.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 424' ' ' LYS . . . . . 0.503 ' CD ' HD13 ' A' ' 444' ' ' LEU . 4.6 ttpm? -51.98 -45.17 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 63.42 110.891 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -55.6 -35.44 65.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 44.24 110.875 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 28.3 mtm -75.42 -34.56 61.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.898 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.459 ' CE2' HD13 ' B' ' 397' ' ' ILE . 42.7 m-85 -72.19 -36.24 69.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 65.35 110.872 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.4 pp -85.08 -35.05 22.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.967 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.542 ' N ' HD12 ' A' ' 428' ' ' LEU . 92.0 t 57.19 82.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 70.12 111.152 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 430' ' ' GLY . . . . . 0.431 ' N ' HD12 ' A' ' 428' ' ' LEU . . . 68.5 -91.48 0.25 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 25.3 112.454 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -170.35 126.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 75.24 110.884 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -173.06 -163.03 26.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 64.41 112.508 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.23 175.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 72.32 110.873 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 83.7 p -88.26 -172.08 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.858 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 10.4 m -130.15 139.16 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 45.03 111.136 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.691 HD12 ' OG1' ' A' ' 437' ' ' THR . 1.0 OUTLIER -103.73 -31.03 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 70.31 111.109 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.691 ' OG1' HD12 ' A' ' 436' ' ' ILE . 0.0 OUTLIER 179.16 85.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 73.3 111.117 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.59 -178.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.872 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 15.8 t 65.02 152.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 34.11 111.103 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.24 -38.0 12.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 61.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -54.09 152.13 6.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 64.43 110.895 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.04 -67.46 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.922 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -55.07 39.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 75.3 110.845 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 444' ' ' LEU . . . . . 0.503 HD13 ' CD ' ' A' ' 424' ' ' LYS . 4.5 mt -62.72 -35.18 78.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.483 . . . . 75.3 110.931 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.6 -36.79 47.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 72.32 111.087 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.18 -60.67 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 72.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -67.48 -35.99 80.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 64.54 110.937 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -52.38 -36.05 53.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 53.15 110.858 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 453' ' ' ALA . 1.5 tt0 -52.23 -36.5 52.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.893 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -80.19 -51.96 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 75.51 110.886 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.35 -43.19 64.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 75.33 110.904 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -36.2 58.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 75.21 110.89 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 449' ' ' GLN . . . -52.43 -35.99 53.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 74.2 111.123 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -60.4 -36.12 77.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.937 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.81 103.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.937 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.527 HG22 ' HE2' ' B' ' 407' ' ' LYS . 0.2 OUTLIER -123.25 35.71 4.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 60.34 111.141 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? 62.73 103.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 72.51 110.882 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.7 -177.57 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.11 110.858 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.89 176.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 44.03 110.929 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -172.62 171.45 44.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 70.4 112.5 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -107.92 -175.61 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 74.2 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.67 163.0 18.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 65.12 110.908 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 172.05 -165.88 38.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 54.43 112.519 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 113.41 3.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.628 2.219 . . . . 72.11 112.371 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -118.84 133.07 56.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.888 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.2 159.49 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.92 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 2.2 tptt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 65.2 110.919 179.824 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.863 0.363 . . . . 74.43 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.88 158.39 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 74.02 110.912 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -161.26 179.69 8.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 50.42 111.121 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -102.73 -169.9 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.037 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.9 -71.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 61.04 110.823 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -122.09 -171.74 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 74.35 110.886 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 346' ' ' THR . . . . . 0.592 HG23 ' HB3' ' B' ' 349' ' ' ASP . 6.8 t -52.18 142.78 15.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 65.14 111.127 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 11.7 m -71.51 -38.81 71.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 65.44 110.845 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.13 -35.88 60.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.89 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 349' ' ' ASP . . . . . 0.592 ' HB3' HG23 ' B' ' 346' ' ' THR . 6.4 t70 -73.25 -44.96 58.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 75.42 110.877 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -39.47 89.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 65.45 110.836 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.85 -34.29 62.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 64.45 110.879 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.655 ' HA ' HD12 ' B' ' 355' ' ' ILE . 11.4 mt -71.19 -48.1 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 63.21 110.929 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -55.09 -28.61 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 64.41 110.913 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -76.43 -35.57 58.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.865 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' B' ' 352' ' ' LEU . 52.0 mt -63.5 -40.92 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 75.43 111.119 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -71.79 -42.51 67.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.845 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.21 80.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 75.04 111.091 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.54 -38.05 66.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.45 110.885 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.494 HG23 ' SG ' ' B' ' 373' ' ' CYS . 32.5 mt -75.22 -30.31 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 62.43 111.141 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -63.41 -52.8 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.3 110.901 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -72.44 -28.55 63.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 75.2 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.0 m -74.75 -26.98 60.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 42.1 mt -94.88 26.5 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 45.15 110.886 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.36 169.19 9.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.876 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 0.939 HD11 HG22 ' A' ' 403' ' ' ILE . 5.7 tp -84.67 -40.52 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 74.33 111.138 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.416 ' N ' HG23 ' B' ' 365' ' ' ILE . 13.3 p-10 -90.84 -33.21 15.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 64.14 110.856 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -106.05 36.57 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 65.1 110.893 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 15.8 tp -55.68 106.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.953 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.67 71.92 1.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 74.12 110.873 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.756 ' HB ' HD11 ' A' ' 412' ' ' ILE . 16.2 m -52.22 -27.95 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 64.02 111.08 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -51.16 -41.02 59.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.869 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -76.3 -32.82 58.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 64.21 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.494 ' SG ' HG23 ' B' ' 359' ' ' ILE . 6.1 t -53.21 -59.05 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 61.02 110.824 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.43 -45.35 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 64.33 111.136 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -53.44 -36.62 61.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 75.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.82 -51.5 11.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.15 111.104 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 3.1 mt -52.07 -42.63 63.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 72.3 110.94 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.61 -35.01 79.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 54.03 110.891 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.19 -50.33 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 62.51 110.886 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.984 HD23 HD13 ' A' ' 419' ' ' LEU . 6.3 tp -56.28 -48.11 77.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.31 110.949 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 381' ' ' ALA . . . . . 0.525 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -54.54 -25.68 27.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 71.22 111.104 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -79.57 -29.95 41.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 63.33 110.884 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.38 101.78 13.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 71.02 110.905 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -73.42 68.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 65.43 110.892 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.93 136.53 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 70.11 111.111 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -83.64 173.32 11.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 45.24 111.131 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 1.9 ttt -59.8 -38.97 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.882 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -52.53 -54.32 34.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.901 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -74.21 -36.03 63.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.884 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.39 88.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 62.03 111.05 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -51.79 -42.66 62.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 71.43 110.915 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -35.51 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 54.25 110.922 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -95.19 35.61 1.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.862 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.648 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.1 OUTLIER -55.73 -35.43 66.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 54.13 111.167 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.79 -42.43 95.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 74.34 110.885 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -55.33 -38.25 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.867 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.72 ' HA ' HD12 ' B' ' 400' ' ' LEU . 4.1 mt -67.55 -42.79 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 71.44 111.139 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 92.1 m -55.52 -45.42 77.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 55.43 111.153 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.7 m -58.42 -41.8 85.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 71.54 111.164 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' B' ' 397' ' ' ILE . 22.4 mt -55.95 -35.57 66.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.931 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -76.32 -28.77 57.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 60.31 110.837 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -75.37 -35.41 61.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.958 HG22 HD11 ' A' ' 365' ' ' ILE . 35.8 pt -73.6 -1.66 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 52.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -33.62 42.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 71.35 110.861 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.8 -20.04 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 65.42 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.479 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.2 OUTLIER -40.79 119.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 70.24 110.85 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 407' ' ' LYS . . . . . 0.527 ' HE2' HG22 ' A' ' 456' ' ' THR . 10.7 pttt -175.23 141.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 62.2 110.893 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.541 HG22 ' HB ' ' B' ' 412' ' ' ILE . 9.2 p -61.94 137.1 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 71.22 111.154 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 7.7 t -68.62 179.76 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 64.22 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -79.72 -38.76 32.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 73.33 110.94 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.14 -39.61 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 73.1 111.094 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.77 HD11 ' HB ' ' A' ' 370' ' ' VAL . 94.0 mt -64.49 -54.54 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.34 111.091 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 413' ' ' MET . . . . . 0.486 ' HE2' HG13 ' B' ' 408' ' ' VAL . 16.8 ptp -61.85 -31.95 72.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.905 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.59 -36.21 63.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.819 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -76.64 -37.9 55.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.852 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 90.6 p -55.16 -44.58 75.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 61.13 110.844 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 417' ' ' THR . . . . . 0.43 HG22 ' ND2' ' B' ' 421' ' ' ASN . 98.1 m -56.41 -47.44 79.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 52.43 111.104 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -49.11 -47.57 45.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.852 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 381' ' ' ALA . 45.6 mt -75.55 -34.63 60.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 43.52 110.875 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.07 -63.95 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.913 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 421' ' ' ASN . . . . . 0.43 ' ND2' HG22 ' B' ' 417' ' ' THR . 10.3 p30 -63.04 -32.6 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.877 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -53.02 -47.97 67.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 71.45 110.898 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -75.59 -43.1 49.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 54.34 110.836 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 424' ' ' LYS . . . . . 0.612 ' HD3' HD13 ' B' ' 444' ' ' LEU . 4.4 ttpm? -53.46 -46.76 70.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 71.03 110.904 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.84 -35.72 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 62.42 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 27.4 mtm -77.34 -35.05 55.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.903 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 427' ' ' PHE . . . . . 0.444 ' CE2' HD13 ' A' ' 397' ' ' ILE . 42.2 m-85 -71.22 -35.53 71.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.21 110.928 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.529 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.5 pp -86.05 -35.26 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 72.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.529 ' N ' HD12 ' B' ' 428' ' ' LEU . 98.3 t 58.16 86.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.146 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 65.35 -92.05 0.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 42.01 112.506 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -169.42 123.25 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 62.22 110.881 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -168.2 -160.48 16.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 64.44 112.509 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.97 176.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 74.12 110.896 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 83.3 p -83.88 -179.92 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 63.33 110.853 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 3.3 p -121.6 124.01 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 65.41 111.173 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.75 93.81 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 70.25 111.166 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 1.3 m 68.76 72.2 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 73.13 111.101 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 51.51 -169.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 54.42 110.913 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 16.8 t 65.59 149.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.11 111.108 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 30.3 mt -94.86 -36.02 11.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.929 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 441' ' ' ASN . . . . . 0.437 ' O ' ' HB2' ' B' ' 445' ' ' ALA . 15.3 m-20 -59.15 153.41 18.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.33 110.831 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.82 -67.74 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.918 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -53.67 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 55.1 110.85 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 444' ' ' LEU . . . . . 0.612 HD13 ' HD3' ' B' ' 424' ' ' LYS . 3.5 mt -65.31 -36.17 83.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.923 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 445' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' B' ' 441' ' ' ASN . . . -51.72 -37.2 49.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 72.51 111.094 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.39 -58.9 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.917 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.27 -36.29 79.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 75.01 110.886 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -52.54 -36.52 55.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.84 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 449' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' B' ' 453' ' ' ALA . 1.5 tt0 -52.07 -36.12 49.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.92 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -80.41 -51.44 8.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 65.3 110.872 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.54 -43.61 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.886 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -36.44 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 65.55 110.927 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 453' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' B' ' 449' ' ' GLN . . . -52.06 -35.66 48.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 64.13 111.125 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -60.84 -36.48 79.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.07 103.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 72.25 110.91 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 456' ' ' THR . . . . . 0.514 HG22 ' HE2' ' A' ' 407' ' ' LYS . 0.2 OUTLIER -123.49 35.62 4.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 63.12 111.175 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? 62.73 103.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.2 110.926 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.95 -177.32 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.44 110.913 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.94 177.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 60.35 110.931 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -172.71 171.63 44.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 71.53 112.481 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -108.14 -175.39 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 72.41 110.905 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.85 163.11 18.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.923 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 171.83 -165.99 38.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 65.23 112.485 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.71 2.273 . . . . 74.05 112.321 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -118.9 133.18 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 71.54 110.886 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.2 159.41 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.892 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.2 tptt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 61.23 110.907 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.871 0.367 . . . . 74.34 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -52.24 114.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 73.04 110.889 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -177.88 146.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 50.24 111.096 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -170.11 163.37 9.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 74.12 111.102 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 46.1 t -154.28 162.62 41.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 73.0 110.829 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.35 -178.43 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.899 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.31 -173.77 4.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 73.11 111.179 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.01 -58.91 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 60.3 110.877 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -38.15 63.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 71.15 110.883 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.45 -34.66 65.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 75.24 110.916 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 11.1 m -68.36 -38.74 81.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 64.41 110.835 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -33.65 62.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.871 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.55 HD23 ' CG ' ' A' ' 393' ' ' HIS . 0.9 OUTLIER -71.19 -47.46 57.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.882 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -57.76 -29.38 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.897 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -76.69 -45.2 30.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.908 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 352' ' ' LEU . 17.7 mt -57.53 -42.32 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.152 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 356' ' ' HIS . . . . . 0.419 ' HA ' HD12 ' A' ' 359' ' ' ILE . 19.2 t-160 -71.84 -39.48 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.846 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.87 -48.68 73.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 63.02 111.063 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.06 -38.79 68.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 64.34 110.918 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.534 HG23 ' SG ' ' A' ' 373' ' ' CYS . 41.3 mt -64.34 -36.52 77.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.142 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -51.99 65.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 71.35 110.894 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -71.62 -31.25 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 61.12 110.85 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 67.1 m -79.42 -1.33 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.858 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.513 HD12 HG22 ' A' ' 359' ' ' ILE . 29.5 mt -121.3 26.55 8.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 63.44 110.907 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -73.9 167.84 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 73.13 110.892 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 1.008 HD11 HG22 ' B' ' 403' ' ' ILE . 6.2 tp -83.4 -37.4 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 75.13 111.088 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -89.34 -30.87 18.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.879 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -116.46 37.13 3.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 65.54 110.87 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' B' ' 406' ' ' PHE . 13.5 tp -52.53 108.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 61.41 110.892 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -124.47 59.64 1.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.843 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 2.9 m -49.63 -32.77 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 73.32 111.186 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -53.31 -35.16 59.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.836 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.74 -35.82 60.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.873 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.534 ' SG ' HG23 ' A' ' 359' ' ' ILE . 4.3 t -53.29 -52.19 59.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 70.04 110.876 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.6 mt -53.4 -35.89 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 55.44 111.118 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.07 -34.51 76.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.11 110.913 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.51 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.64 -53.71 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 74.24 111.105 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.35 -35.01 50.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 72.3 110.882 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.47 -46.23 87.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 44.25 110.858 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.48 -45.39 93.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 34.12 110.896 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.676 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.7 tm? -52.29 -35.82 51.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 52.31 110.924 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -71.29 -35.85 71.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 53.33 111.099 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 2.5 t -70.25 -36.32 74.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.855 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 84.0 mt -67.23 115.28 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 63.21 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -79.92 64.67 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 74.02 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.9 p -74.73 140.09 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 44.12 111.117 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -97.27 173.74 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.12 111.153 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -35.67 72.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.91 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -53.85 -59.22 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 70.25 110.944 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -69.96 -36.78 75.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 70.44 110.908 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.83 -51.24 69.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.068 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.54 -35.97 43.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 75.25 110.899 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.18 -34.31 68.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.55 ' CG ' HD23 ' A' ' 352' ' ' LEU . 76.0 m80 -95.09 35.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 70.14 110.853 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -34.61 57.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 63.35 111.156 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -44.86 82.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 65.31 110.885 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.441 ' HE1' HD21 ' A' ' 380' ' ' LEU . 1.2 ttm -55.16 -56.13 23.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 74.31 110.859 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.553 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.0 mp -58.59 -36.17 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 64.34 111.167 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 34.5 m -56.91 -32.23 65.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 71.25 111.156 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -81.45 -37.19 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 64.32 111.113 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 397' ' ' ILE . 50.1 mt -51.64 -40.0 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 73.43 110.93 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -28.02 56.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 75.05 110.874 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -75.04 -34.77 61.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 71.01 110.922 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.066 HG22 HD11 ' B' ' 365' ' ' ILE . 31.7 pt -74.48 -3.22 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.44 111.141 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -37.8 60.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 64.01 110.848 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 25.22 8.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.895 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.744 ' CD2' HD13 ' B' ' 368' ' ' LEU . 1.2 t80 -84.93 120.72 26.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.04 110.864 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.5 156.47 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.893 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 408' ' ' VAL . 5.6 p -86.91 110.5 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 43.23 111.15 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 28.5 t -46.22 154.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 74.43 110.833 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -60.61 -34.39 74.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 74.23 110.926 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.06 -40.42 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.11 111.165 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.41 HG23 HD11 ' B' ' 377' ' ' LEU . 87.2 mt -74.65 -38.66 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 74.31 111.132 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 26.4 mtm -66.04 -38.2 87.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 65.12 110.89 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -75.63 -34.01 60.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.892 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -71.63 -35.54 70.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.848 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.9 p -62.48 -48.57 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 71.33 110.898 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 35.1 m -52.58 -42.52 64.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 73.02 111.133 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -45.68 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.846 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.437 HD13 HD12 ' B' ' 380' ' ' LEU . 62.8 mt -74.41 -42.69 58.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 71.2 110.912 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -53.77 -52.08 61.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.919 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -62.69 -39.67 94.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 73.14 110.92 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -53.93 -52.04 61.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.91 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.531 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 21.3 m-85 -73.14 -34.02 65.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 424' ' ' LYS . . . . . 0.464 ' O ' HD23 ' A' ' 428' ' ' LEU . 4.2 tttt -62.54 -34.69 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.903 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -48.43 81.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 44.24 110.885 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 15.2 ptp -74.83 -33.42 62.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.905 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -68.15 -36.09 79.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.901 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.716 HD13 ' CB ' ' A' ' 440' ' ' LEU . 2.2 pp -88.6 -34.09 17.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.911 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.5 t 60.08 98.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 70.12 111.139 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -165.03 -96.09 0.11 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 25.3 112.489 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -110.05 117.96 35.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 75.24 110.902 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -71.56 94.69 0.58 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 64.41 112.456 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.6 154.13 3.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 72.32 110.866 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.94 97.79 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.02 110.859 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 20.0 m -75.79 157.19 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 45.03 111.135 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 4.6 mp -95.4 -36.3 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 70.31 111.121 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.9 t -166.53 74.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 73.3 111.155 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -129.59 154.55 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.898 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 439' ' ' VAL . 6.3 m -135.97 109.01 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 34.11 111.151 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.716 ' CB ' HD13 ' A' ' 428' ' ' LEU . 4.1 mm? -115.58 -35.89 4.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 61.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.81 162.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 64.43 110.924 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 -35.93 4.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 73.11 110.92 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -55.04 11.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.855 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 9.9 mt -72.32 -35.27 68.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 75.3 110.959 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.58 -35.49 41.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.085 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -70.17 -50.65 38.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 72.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -63.18 -58.64 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 64.54 110.919 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -36.05 47.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 53.15 110.889 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.57 -35.94 61.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 74.13 110.969 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -74.04 -59.8 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 75.51 110.86 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.35 -36.42 53.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.869 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.08 -35.72 56.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 75.21 110.881 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.44 -35.37 39.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 74.2 111.095 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.35 -39.97 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 74.14 110.927 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 148.93 49.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.933 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.86 175.35 10.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 60.34 111.129 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.26 53.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.51 110.892 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 59.75 74.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.891 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.21 178.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 44.03 110.892 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 179.98 92.84 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.729 -0.748 . . . . 70.4 112.436 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.9 -170.09 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 74.2 110.855 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.74 110.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 65.12 110.875 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -130.38 174.68 19.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 54.43 112.491 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 98.85 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.686 2.257 . . . . 72.11 112.323 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 5.9 t30 63.21 161.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 63.41 110.921 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? -179.22 36.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.892 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 57.8 mttt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 65.2 110.936 179.88 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.903 0.382 . . . . 74.43 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -52.08 114.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 74.02 110.872 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -177.97 145.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 50.42 111.098 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -170.06 163.46 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 75.44 111.112 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 45.4 t -154.41 162.52 41.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 61.04 110.831 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.38 -178.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 74.35 110.912 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -172.79 4.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 65.14 111.138 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.63 -59.3 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 65.44 110.854 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -37.47 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 74.02 110.851 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -35.17 65.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 75.42 110.895 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 11.7 m -68.51 -38.54 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 65.45 110.871 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -74.2 -34.23 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 64.45 110.904 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.544 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.0 OUTLIER -70.05 -47.79 60.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.913 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -58.79 -31.02 68.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 64.41 110.962 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -73.78 -43.7 58.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.579 HG23 ' HB1' ' B' ' 376' ' ' ALA . 14.0 mt -60.48 -41.64 88.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 75.43 111.13 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 356' ' ' HIS . . . . . 0.45 ' HA ' HD12 ' B' ' 359' ' ' ILE . 20.4 t-160 -70.85 -37.34 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.835 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.94 70.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.04 111.147 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.28 -41.09 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.865 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.507 HG22 HD12 ' B' ' 363' ' ' LEU . 27.9 mt -62.89 -36.65 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 62.43 111.199 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -59.93 -51.86 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.88 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -72.45 -31.41 65.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 75.2 110.848 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.4 m -76.76 -4.64 44.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 71.21 110.881 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.507 HD12 HG22 ' B' ' 359' ' ' ILE . 50.4 mt -119.89 26.01 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 45.15 110.931 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -73.9 167.9 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.87 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.066 HD11 HG22 ' A' ' 403' ' ' ILE . 6.6 tp -83.78 -38.45 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.109 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -88.62 -31.08 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 64.14 110.869 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -116.15 37.04 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 65.1 110.902 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.744 HD13 ' CD2' ' A' ' 406' ' ' PHE . 12.1 tp -52.53 107.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 73.24 110.917 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -126.56 63.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.84 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 4.1 m -50.44 -31.02 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.02 111.139 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -52.14 -35.31 48.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.929 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -35.41 60.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 64.21 110.873 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.503 ' SG ' HG23 ' B' ' 359' ' ' ILE . 7.4 t -53.45 -52.89 58.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 61.02 110.883 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 5.3 mt -53.54 -37.31 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 64.33 111.083 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -66.22 -35.5 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.579 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.3 -54.08 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 73.15 111.071 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 377' ' ' LEU . . . . . 0.41 HD11 HG23 ' A' ' 412' ' ' ILE . 21.6 mt -52.6 -36.64 56.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.883 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.29 -46.14 90.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 54.03 110.929 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.6 -46.13 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 62.51 110.852 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.664 HD13 ' O ' ' B' ' 380' ' ' LEU . 1.7 tm? -52.72 -37.49 59.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 72.31 110.89 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.24 -34.61 75.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 71.22 111.076 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 2.5 t -72.38 -37.25 68.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 63.33 110.869 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.1 115.94 6.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 71.02 110.937 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -81.04 64.14 5.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 65.43 110.931 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -75.17 139.13 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 70.11 111.092 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -95.77 173.86 7.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 45.24 111.112 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -35.89 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.891 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -53.49 -57.64 9.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.941 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.41 -36.33 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.926 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.88 -51.07 70.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 62.03 111.111 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -35.8 45.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 71.43 110.92 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.22 70.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 54.25 110.919 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 393' ' ' HIS . . . . . 0.466 ' CG ' HD23 ' B' ' 352' ' ' LEU . 76.6 m80 -95.17 35.54 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 74.34 110.887 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.98 -35.53 59.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 54.13 111.11 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -43.52 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.874 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.5 ttm -55.46 -57.17 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.939 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.662 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.2 mp -56.6 -36.3 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.44 111.138 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.5 m -57.42 -32.21 66.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 55.43 111.15 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -81.55 -38.41 26.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.54 111.158 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' B' ' 397' ' ' ILE . 41.3 mt -51.3 -39.62 57.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 75.11 110.908 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -27.96 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 60.31 110.897 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -75.67 -34.62 60.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 72.14 110.943 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 1.008 HG22 HD11 ' A' ' 365' ' ' ILE . 34.3 pt -74.65 -1.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 52.0 111.116 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -38.23 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.92 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.5 26.37 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 65.42 110.848 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.48 ' CD1' HD13 ' A' ' 368' ' ' LEU . 0.1 OUTLIER -84.21 120.32 26.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 70.24 110.833 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.38 -166.83 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 62.2 110.894 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.575 HG22 ' HB ' ' B' ' 412' ' ' ILE . 11.1 p -118.96 -11.93 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 71.22 111.109 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.0 t 71.96 132.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 64.22 110.839 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -53.63 -35.93 61.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 73.33 110.909 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -53.65 -39.36 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 73.1 111.119 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.575 ' HB ' HG22 ' B' ' 408' ' ' VAL . 9.7 mt -75.06 -34.36 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 71.34 111.111 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.0 mtm -71.32 -39.26 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.903 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -72.17 -37.04 69.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.852 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -69.76 -35.82 75.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 74.32 110.899 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -61.74 -50.16 73.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 61.13 110.856 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 30.5 m -52.16 -45.1 64.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 52.43 111.134 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -45.95 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 74.22 110.883 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.667 HD13 HD12 ' A' ' 380' ' ' LEU . 64.0 mt -74.63 -45.62 43.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 43.52 110.902 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -51.01 -54.76 21.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.909 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -58.87 -35.13 72.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.882 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -57.36 -53.7 55.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.884 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.575 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 93.5 m-85 -70.92 -35.97 72.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 54.34 110.862 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 424' ' ' LYS . . . . . 0.494 ' O ' HD23 ' B' ' 428' ' ' LEU . 4.2 tttt -60.17 -35.05 74.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 71.03 110.886 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -60.8 -49.03 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 62.42 110.909 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 16.6 ptp -75.11 -33.53 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.864 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -68.07 -35.99 79.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 71.21 110.907 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.716 HD13 ' CB ' ' B' ' 440' ' ' LEU . 2.1 pp -88.72 -34.3 17.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 72.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 94.8 t 59.95 98.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 74.44 111.15 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -165.21 -96.79 0.11 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 42.01 112.474 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -109.33 117.82 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 62.22 110.868 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -71.19 93.64 0.52 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 64.44 112.522 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -170.69 154.29 4.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 74.12 110.878 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.03 98.02 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 63.33 110.889 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 19.9 m -75.78 157.31 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 65.41 111.129 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 4.7 mp -95.44 -36.62 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 70.25 111.09 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 1.9 t -166.49 75.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 73.13 111.127 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -129.68 154.38 47.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 54.42 110.938 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 439' ' ' VAL . . . . . 0.412 ' O ' HG23 ' B' ' 439' ' ' VAL . 6.3 m -135.79 109.01 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.11 111.121 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 440' ' ' LEU . . . . . 0.716 ' CB ' HD13 ' B' ' 428' ' ' LEU . 4.1 mm? -115.73 -35.65 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.882 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.84 162.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.902 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 -32.96 5.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.868 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -54.38 9.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 55.1 110.871 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 9.8 mt -73.0 -35.28 66.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 73.22 110.904 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.55 -35.43 40.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 72.51 111.158 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -70.04 -50.83 37.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.903 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -63.36 -58.45 7.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 75.01 110.949 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -35.77 47.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 73.21 110.846 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.84 -36.14 62.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.88 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -73.67 -59.7 2.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 65.3 110.861 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.8 -36.25 58.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.844 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.12 -35.59 56.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 65.55 110.92 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.45 -35.39 39.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 64.13 111.086 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.37 -39.79 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.42 110.865 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.81 148.44 50.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.25 110.906 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.22 -179.64 6.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 63.12 111.163 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.27 36.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.927 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 54.62 35.82 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 72.44 110.898 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.18 -172.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 60.35 110.94 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 153.13 70.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.753 . . . . 71.53 112.506 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.76 -177.94 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 72.41 110.841 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.37 110.39 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.869 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -128.7 175.68 18.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 65.23 112.493 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 99.43 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 74.05 112.343 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 5.9 t30 63.11 161.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 71.54 110.909 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? -179.23 36.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.901 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 57.8 mttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 61.23 110.878 179.905 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.875 0.369 . . . . 74.34 110.905 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -155.17 166.16 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.04 110.891 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -112.59 36.39 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 50.24 111.115 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -176.6 166.97 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 74.12 111.118 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.75 175.63 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 73.0 110.831 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.86 -168.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 71.32 110.921 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 2.1 p -46.47 111.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 73.11 111.173 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 9.7 t -50.82 -35.44 32.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 60.3 110.859 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.12 -39.85 63.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 71.15 110.9 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.77 -37.15 65.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 75.24 110.829 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -40.14 96.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 64.41 110.837 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.526 ' NH2' HD22 ' A' ' 383' ' ' LEU . 9.5 ptt180 -76.27 -33.11 59.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.858 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.09 -35.37 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 73.52 110.927 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -33.55 74.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.902 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -79.68 -38.12 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 32.2 mt -59.95 -43.91 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.14 111.126 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -72.31 -45.39 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.845 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.53 92.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 63.02 111.102 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.95 -43.98 73.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 64.34 110.865 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.428 HG22 HD12 ' A' ' 363' ' ' LEU . 36.4 mt -64.48 -32.33 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 73.32 111.097 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -62.81 -52.15 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 71.35 110.864 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.92 -29.29 65.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 61.12 110.888 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.8 p -76.12 -26.73 56.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 73.51 110.878 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.428 HD12 HG22 ' A' ' 359' ' ' ILE . 35.9 mt -94.42 26.75 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 63.44 110.957 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 170.85 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 73.13 110.905 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 0.962 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.8 -40.19 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 75.13 111.112 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 365' ' ' ILE . 10.3 p-10 -90.55 -33.62 15.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.858 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -106.1 36.4 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 65.54 110.907 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' B' ' 406' ' ' PHE . 15.2 tp -57.05 107.39 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 61.41 110.89 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -133.73 76.65 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.15 110.869 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.555 ' O ' HD12 ' A' ' 374' ' ' ILE . 11.3 m -51.61 -29.21 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 73.32 111.097 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.81 -36.77 49.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 71.21 110.878 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -75.89 -35.25 59.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.883 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.404 ' SG ' HG23 ' A' ' 359' ' ' ILE . 27.9 t -58.49 -56.33 23.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 70.04 110.858 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 374' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 370' ' ' VAL . 2.8 mp -53.29 -35.25 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 55.44 111.142 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.19 -36.3 82.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.873 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.26 -54.58 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.085 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 51.0 mt -55.07 -35.94 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 72.3 110.92 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.5 -36.23 83.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 44.25 110.835 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -50.51 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 34.12 110.853 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.9 tm? -53.75 -34.66 59.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 52.31 110.956 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -63.0 -27.93 69.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 53.33 111.103 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 382' ' ' SER . . . . . 0.536 ' O ' HD23 ' A' ' 383' ' ' LEU . 0.2 OUTLIER -93.97 26.22 3.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.846 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 382' ' ' SER . 14.1 mt -120.46 116.4 25.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 63.21 110.901 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -87.75 58.21 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.9 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.93 136.52 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 44.12 111.137 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -80.23 170.22 16.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 72.12 111.164 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -35.26 71.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.23 110.842 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -59.29 5.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 70.25 110.922 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.02 -38.87 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 70.44 110.917 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.22 70.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.136 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 391' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 394' ' ' THR . 0.8 OUTLIER -52.92 -40.68 63.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.939 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -61.18 -34.55 75.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 71.12 110.915 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -95.24 35.71 1.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 70.14 110.881 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 391' ' ' GLN . 0.7 OUTLIER -52.46 -35.21 51.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 63.35 111.142 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.27 -50.54 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 65.31 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 48.9 ttp -55.41 -37.94 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.897 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.831 ' HA ' HD12 ' A' ' 400' ' ' LEU . 62.9 mt -70.11 -38.37 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 64.34 111.089 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 19.2 m -61.62 -44.13 97.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.25 111.178 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.2 m -62.02 -36.02 80.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 64.32 111.156 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 397' ' ' ILE . 18.8 mt -58.3 -36.32 73.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.934 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -76.0 -28.56 57.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 75.05 110.925 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -75.61 -35.72 60.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 71.01 110.898 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 0.984 HG22 HD11 ' B' ' 365' ' ' ILE . 35.7 pt -73.38 -1.49 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 75.44 111.116 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -34.18 45.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 64.01 110.849 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.12 -19.77 7.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.862 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.489 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -40.27 117.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 75.04 110.907 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -173.3 133.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.901 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.7 127.77 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 43.23 111.149 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 8.3 t -64.62 172.59 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.815 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -73.63 -31.67 63.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 74.23 110.912 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 28.9 t -53.22 -44.09 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 73.11 111.12 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.569 HD11 ' HB ' ' B' ' 370' ' ' VAL . 73.1 mt -74.11 -42.64 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.129 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 20.2 mtm -59.13 -43.07 91.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.12 110.905 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.2 -33.54 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.545 ' HE3' HG23 ' B' ' 374' ' ' ILE . 22.4 mttm -71.86 -38.26 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.866 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 70.8 p -60.14 -49.79 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 92.7 m -52.45 -34.63 49.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 73.02 111.139 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 29.2 ttp -58.83 -51.29 70.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.87 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.735 ' HG ' HD12 ' B' ' 380' ' ' LEU . 2.6 mm? -74.47 -35.66 63.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.957 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -59.3 -47.26 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.59 -39.46 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 73.14 110.877 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -54.94 -48.04 73.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.823 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 22.2 m-85 -74.98 -36.16 62.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 74.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 424' ' ' LYS . . . . . 0.712 ' HD2' HD13 ' A' ' 444' ' ' LEU . 2.3 ttpm? -55.88 -50.48 70.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 63.42 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.47 -35.61 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 44.24 110.863 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 8.5 mtm -75.53 -35.09 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -72.36 -36.96 68.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 65.35 110.841 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.4 pp -84.16 -35.25 23.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.549 ' N ' HD12 ' A' ' 428' ' ' LEU . 99.2 t 57.33 83.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 70.12 111.09 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 430' ' ' GLY . . . . . 0.434 ' N ' HD12 ' A' ' 428' ' ' LEU . . . 160.5 -135.55 4.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 25.3 112.433 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -119.96 122.11 40.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 75.24 110.905 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -113.07 -125.36 4.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 64.41 112.444 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 58.18 95.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 72.32 110.851 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 16.8 p -170.7 173.93 5.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 75.02 110.825 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.14 160.33 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 45.03 111.165 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 31.0 mt -85.39 110.09 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 70.31 111.131 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 3.3 m -161.38 39.58 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 73.3 111.11 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 52.36 70.44 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.918 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 22.6 t -138.48 149.5 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 34.11 111.12 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.25 161.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 61.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ASN . . . . . 0.624 ' ND2' HD12 ' A' ' 444' ' ' LEU . 2.6 t-20 63.21 161.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 64.43 110.907 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -115.25 -59.49 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.918 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -43.58 90.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 75.3 110.829 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 444' ' ' LEU . . . . . 0.712 HD13 ' HD2' ' A' ' 424' ' ' LYS . 22.6 mt -73.97 -35.68 64.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 75.3 110.951 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.42 -42.56 61.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 72.32 111.094 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -75.62 -35.84 60.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 72.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -61.78 -59.89 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 64.54 110.885 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -52.56 -35.86 54.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 53.15 110.848 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 453' ' ' ALA . 5.4 tt0 -51.77 -49.04 63.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.917 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -82.48 -43.74 16.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 75.51 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -51.88 -59.26 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.902 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -36.16 83.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 75.21 110.894 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 449' ' ' GLN . . . -52.51 -38.07 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.11 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -71.47 -36.86 71.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.862 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -80.58 134.43 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.14 110.957 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 54.0 m -140.32 139.83 35.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 60.34 111.159 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.55 -170.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 72.51 110.934 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 34.8 t0 63.37 104.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.874 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -140.42 35.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 44.03 110.891 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -112.68 51.32 0.71 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 70.4 112.504 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.07 129.84 4.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 74.2 110.923 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.42 139.23 44.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 65.12 110.878 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -174.82 -169.26 36.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 54.43 112.526 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 150.03 67.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 2.277 . . . . 72.11 112.315 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -68.12 -41.88 81.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 63.41 110.857 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 164.28 3.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.912 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 65.2 110.89 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.894 0.378 . . . . 74.43 110.882 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -155.02 165.92 35.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 74.02 110.861 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -113.19 40.1 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 50.42 111.107 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -171.31 170.92 5.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 75.44 111.062 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.97 172.15 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 61.04 110.852 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -104.1 125.47 50.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 74.35 110.881 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 2.1 p 46.16 85.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 65.14 111.086 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 9.6 t -52.0 -36.65 50.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 65.44 110.871 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.27 -40.49 64.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 74.02 110.912 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.99 -32.22 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.863 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -39.62 90.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 65.45 110.888 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -77.73 -33.18 53.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 64.45 110.874 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.531 ' CD2' HD23 ' B' ' 380' ' ' LEU . 13.5 mt -74.46 -43.61 55.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 63.21 110.939 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -61.02 -35.45 76.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.951 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -78.15 -35.69 48.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 71.42 110.863 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.446 HG23 ' HB1' ' B' ' 376' ' ' ALA . 26.9 mt -64.41 -40.79 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 75.43 111.122 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -72.05 -40.42 68.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 74.23 110.828 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.91 89.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.04 111.111 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.24 -42.25 73.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 74.45 110.868 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.426 HG22 HD12 ' B' ' 363' ' ' LEU . 38.4 mt -65.69 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 62.43 111.122 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -62.86 -51.91 65.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.3 110.905 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -70.56 -29.42 65.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 75.2 110.881 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 13.2 p -76.4 -27.1 56.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.21 110.883 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.426 HD12 HG22 ' B' ' 359' ' ' ILE . 34.9 mt -94.14 26.91 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 45.15 110.897 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.84 171.29 6.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.912 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 0.984 HD11 HG22 ' A' ' 403' ' ' ILE . 5.6 tp -84.91 -39.7 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 74.33 111.137 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -91.02 -33.44 15.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 64.14 110.854 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -106.05 36.49 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 65.1 110.896 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' A' ' 406' ' ' PHE . 15.9 tp -57.02 107.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.964 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -134.41 76.47 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.857 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.577 ' O ' HD12 ' B' ' 374' ' ' ILE . 12.4 m -51.55 -28.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 64.02 111.096 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.58 -36.92 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.902 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -76.21 -34.77 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 64.21 110.888 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 22.5 t -58.07 -56.91 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 61.02 110.911 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.577 HD12 ' O ' ' B' ' 370' ' ' VAL . 2.7 mp -53.18 -34.52 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 64.33 111.133 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.06 -37.66 88.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 75.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.446 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.97 -54.3 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.15 111.138 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 41.4 mt -53.36 -35.43 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 72.3 110.888 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -67.67 -35.4 78.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 54.03 110.877 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.45 -50.95 40.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 62.51 110.917 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.735 HD12 ' HG ' ' A' ' 419' ' ' LEU . 2.8 tm? -54.88 -34.36 62.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 72.31 110.964 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.25 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.109 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.34 26.37 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 63.33 110.805 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 32.3 mt -120.08 113.89 21.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 71.02 110.975 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -84.92 54.44 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 65.43 110.879 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.54 135.64 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 70.11 111.116 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -80.12 171.25 15.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 45.24 111.143 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -35.94 73.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.84 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -59.27 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 74.44 110.904 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.79 -40.17 88.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.937 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.14 -51.03 71.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 62.03 111.103 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 391' ' ' GLN . . . . . 0.59 ' O ' HG23 ' B' ' 394' ' ' THR . 0.8 OUTLIER -53.41 -38.87 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 71.43 110.888 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -62.7 -35.34 79.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 54.25 110.872 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -95.17 35.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.834 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.59 HG23 ' O ' ' B' ' 391' ' ' GLN . 0.7 OUTLIER -52.6 -34.24 49.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 54.13 111.151 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.34 -50.55 69.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.861 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 396' ' ' MET . . . . . 0.498 ' CE ' HD22 ' B' ' 352' ' ' LEU . 53.8 ttp -56.05 -39.42 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.899 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.821 ' HA ' HD12 ' B' ' 400' ' ' LEU . 61.6 mt -67.5 -38.78 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 71.44 111.163 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 19.3 m -62.16 -44.45 96.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 55.43 111.143 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 88.6 m -62.22 -36.3 81.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 71.54 111.156 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' B' ' 397' ' ' ILE . 18.0 mt -57.97 -36.36 72.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.904 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -75.99 -28.7 57.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 60.31 110.877 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -75.44 -35.68 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 72.14 110.891 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.962 HG22 HD11 ' A' ' 365' ' ' ILE . 35.4 pt -73.48 -1.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 52.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -34.57 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.87 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.1 -19.38 7.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 65.42 110.833 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.509 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.43 117.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 70.24 110.844 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -173.13 133.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 62.2 110.864 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.83 127.34 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.148 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 8.3 t -64.3 172.24 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.829 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -73.29 -31.74 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 73.33 110.872 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 27.7 t -53.07 -44.25 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.1 111.135 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.531 HD11 ' HB ' ' A' ' 370' ' ' VAL . 74.7 mt -74.01 -42.43 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.34 111.103 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 19.5 mtm -59.44 -42.44 91.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.13 110.88 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -73.74 -33.41 64.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.929 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 415' ' ' LYS . . . . . 0.539 ' HE3' HG23 ' A' ' 374' ' ' ILE . 22.4 mttm -72.07 -36.68 69.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.915 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 64.2 p -62.13 -49.08 77.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 61.13 110.866 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.9 m -52.41 -35.23 51.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 52.43 111.141 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 27.7 ttp -59.12 -51.21 71.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.917 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.432 HD22 ' N ' ' B' ' 419' ' ' LEU . 3.2 mm? -73.3 -35.88 66.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 43.52 110.914 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -60.49 -46.92 88.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 75.05 110.911 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -40.4 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.926 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -54.34 -48.39 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.923 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.6 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 21.0 m-85 -74.54 -36.3 63.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 54.34 110.898 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 424' ' ' LYS . . . . . 0.704 ' HD2' HD13 ' B' ' 444' ' ' LEU . 2.3 ttpm? -55.75 -50.28 70.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 71.03 110.908 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -52.73 -35.57 56.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 62.42 110.9 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 8.4 mtm -75.54 -35.06 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.877 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -72.32 -36.92 69.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 71.21 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.53 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.4 pp -84.21 -35.25 23.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 72.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.53 ' N ' HD12 ' B' ' 428' ' ' LEU . 98.6 t 57.21 83.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.44 111.122 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 430' ' ' GLY . . . . . 0.426 ' N ' HD12 ' B' ' 428' ' ' LEU . . . 160.58 -135.7 4.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 42.01 112.482 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -119.78 122.01 40.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.391 . . . . 62.22 110.88 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -112.98 -125.46 4.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 64.44 112.512 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 58.29 95.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 74.12 110.837 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 17.0 p -170.82 173.79 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 63.33 110.857 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.08 160.28 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 65.41 111.142 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 31.1 mt -85.31 110.01 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.25 111.146 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 3.2 m -161.46 39.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.14 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 52.72 70.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 54.42 110.918 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 22.4 t -138.33 149.55 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.11 111.145 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.27 161.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.872 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 441' ' ' ASN . . . . . 0.619 ' ND2' HD12 ' B' ' 444' ' ' LEU . 2.6 t-20 63.07 161.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 71.33 110.875 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -115.3 -59.35 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 74.34 110.905 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -43.5 90.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 55.1 110.905 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 444' ' ' LEU . . . . . 0.704 HD13 ' HD2' ' B' ' 424' ' ' LYS . 23.7 mt -74.05 -35.63 64.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 73.22 110.917 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.5 -42.51 61.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.51 111.085 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -75.61 -36.1 60.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.921 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -61.59 -60.92 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 75.01 110.879 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -52.0 -35.6 47.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.884 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 449' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' B' ' 453' ' ' ALA . 5.3 tt0 -51.9 -48.88 63.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.938 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -82.64 -43.32 17.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 65.3 110.859 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -52.32 -59.24 4.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.856 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -36.11 83.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 65.55 110.85 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 453' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' B' ' 449' ' ' GLN . . . -52.6 -38.07 59.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 64.13 111.081 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -71.35 -36.98 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 73.42 110.902 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -80.77 134.32 35.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 72.25 110.918 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 7.2 t -140.05 139.99 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 63.12 111.114 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.66 -170.13 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 73.2 110.875 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 34.8 t0 63.4 104.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 72.44 110.853 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -140.44 35.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 60.35 110.875 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -112.58 51.49 0.7 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 71.53 112.476 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.28 129.83 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 72.41 110.87 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.35 139.07 44.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.935 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -174.73 -169.35 36.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 65.23 112.451 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 149.9 67.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 74.05 112.335 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -67.96 -41.78 81.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 71.54 110.884 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.94 164.35 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.925 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 61.23 110.915 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.871 0.367 . . . . 74.34 110.881 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.82 136.64 40.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 73.04 110.922 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -125.44 -170.35 2.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 50.24 111.1 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -151.81 147.5 26.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 74.12 111.087 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 14.7 p -167.77 142.61 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 73.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -179.33 -177.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 71.32 110.897 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.16 142.4 16.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 73.11 111.133 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 2.3 p -67.5 -58.1 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 60.3 110.886 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.64 -39.42 65.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 71.15 110.9 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -35.19 64.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.887 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 10.1 t -69.68 -37.65 76.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 64.41 110.854 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.441 HH11 HD22 ' A' ' 383' ' ' LEU . 8.5 ptp180 -75.38 -34.27 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.873 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.445 HD23 ' CG ' ' A' ' 393' ' ' HIS . 1.4 mp -68.12 -47.36 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.52 110.943 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.31 -29.01 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.892 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -35.51 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.89 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 352' ' ' LEU . 94.4 mt -58.13 -42.29 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 73.14 111.123 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -72.14 -51.03 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.84 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.23 81.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 63.02 111.107 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -55.09 -54.42 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 64.34 110.882 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.441 ' CG1' ' HB3' ' A' ' 376' ' ' ALA . 34.0 mt -64.59 -33.26 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.098 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -52.33 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 71.35 110.907 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -74.82 -30.04 61.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 61.12 110.899 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.6 p -74.56 -7.5 53.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 73.51 110.864 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 42.0 mt -115.58 26.05 10.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 63.44 110.971 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 169.81 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.939 179.816 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 0.993 HD11 HG22 ' B' ' 403' ' ' ILE . 5.9 tp -84.26 -37.91 13.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.13 111.155 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.49 -31.73 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 72.25 110.855 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -109.81 36.53 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 65.54 110.874 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.51 HD13 ' CD2' ' B' ' 406' ' ' PHE . 19.3 tp -53.27 107.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 61.41 110.876 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.96 81.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.15 110.87 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.597 ' HB ' HD11 ' B' ' 412' ' ' ILE . 10.3 m -61.62 -26.82 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.152 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -51.91 -39.6 59.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.892 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -34.2 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.84 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 37.7 t -53.42 -59.07 5.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 70.04 110.901 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.52 -40.18 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 55.44 111.154 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.25 -39.72 76.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.928 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.441 ' HB3' ' CG1' ' A' ' 359' ' ' ILE . . . -76.83 -50.16 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.09 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.459 HD11 HG23 ' B' ' 412' ' ' ILE . 62.4 mt -52.18 -40.5 61.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 72.3 110.947 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -35.5 79.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 44.25 110.858 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -64.08 -50.02 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 34.12 110.858 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 1.007 HD23 HD13 ' B' ' 419' ' ' LEU . 7.0 tp -53.75 -48.87 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 52.31 110.913 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.58 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -54.62 -25.8 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 53.33 111.098 179.778 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.1 t -80.66 -33.04 35.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 74.33 110.835 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.441 HD22 HH11 ' A' ' 351' ' ' ARG . 62.7 mt -75.26 114.53 13.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 63.21 110.901 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -77.07 63.14 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.896 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 385' ' ' VAL . . . . . 0.498 HG23 ' HB3' ' A' ' 389' ' ' GLN . 7.0 p -66.94 134.91 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 44.12 111.104 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -88.44 174.02 8.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 72.12 111.125 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -39.25 85.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.854 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -59.04 -46.79 87.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 70.25 110.937 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 389' ' ' GLN . . . . . 0.498 ' HB3' HG23 ' A' ' 385' ' ' VAL . 0.4 OUTLIER -73.19 -42.64 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 70.44 110.932 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.5 -49.35 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.076 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.93 -36.18 48.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.907 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -69.97 -35.67 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.12 110.895 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.445 ' CG ' HD23 ' A' ' 352' ' ' LEU . 76.9 m80 -95.4 35.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 70.14 110.838 179.909 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.544 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.1 OUTLIER -51.55 -40.1 59.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 63.35 111.135 -179.933 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -55.79 -44.11 77.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 65.31 110.865 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 1.1 ttm -56.09 -46.11 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.899 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.753 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.2 mt -62.32 -44.54 99.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 64.34 111.154 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 17.6 m -54.22 -36.31 63.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 71.25 111.167 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.1 m -69.19 -35.75 76.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 64.32 111.138 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 397' ' ' ILE . 19.4 mt -61.38 -35.7 78.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 73.43 110.914 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -76.3 -28.63 57.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.05 110.948 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -75.64 -34.84 60.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 71.01 110.903 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.029 HG22 HD11 ' B' ' 365' ' ' ILE . 37.1 pt -73.99 -1.78 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.44 111.161 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -33.56 40.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 64.01 110.882 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.24 -18.52 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.899 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.49 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.8 OUTLIER -40.89 121.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.918 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.44 137.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.88 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.19 131.67 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 43.23 111.123 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.6 t -66.9 171.16 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.868 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -72.72 -34.63 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.894 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.1 p -53.23 -40.83 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 73.11 111.137 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' B' ' 370' ' ' VAL . 93.7 mt -73.67 -48.77 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.096 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 12.7 mtm -57.3 -33.73 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 65.12 110.867 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -49.35 26.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.863 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -62.65 -38.06 88.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.892 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 78.1 p -55.16 -50.22 69.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.836 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 60.7 m -53.93 -45.59 71.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 73.02 111.14 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.8 tpt -51.68 -49.73 61.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.885 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 1.013 HD13 HD23 ' B' ' 380' ' ' LEU . 32.6 mt -71.65 -35.86 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 71.2 110.937 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -61.81 -60.68 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.932 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -56.86 -39.81 74.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 73.14 110.923 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -53.2 -46.05 68.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.918 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -75.26 -36.18 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -52.88 -57.9 8.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.42 110.883 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -51.93 -35.4 45.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 44.24 110.965 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.78 -34.82 64.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.873 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.455 ' CZ ' HD13 ' B' ' 397' ' ' ILE . 3.3 m-85 -69.1 -36.1 77.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.35 110.885 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.4 pp -86.0 -34.88 20.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.9 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.549 ' N ' HD12 ' A' ' 428' ' ' LEU . 99.0 t 59.69 83.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 70.12 111.133 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 430' ' ' GLY . . . . . 0.424 ' N ' HD12 ' A' ' 428' ' ' LEU . . . 51.94 -108.61 0.66 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 25.3 112.448 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -166.63 -179.17 4.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 75.24 110.897 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -93.52 -167.54 38.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 64.41 112.483 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.77 90.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 72.32 110.869 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.75 -169.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 75.02 110.845 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 9.1 m -117.9 141.76 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 45.03 111.148 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 18.2 mt 67.51 149.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 70.31 111.088 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 14.5 t -151.15 144.3 24.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 73.3 111.125 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 438' ' ' GLN . . . . . 0.461 ' H ' HD23 ' A' ' 440' ' ' LEU . 0.9 OUTLIER 178.17 118.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.885 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 6.0 t 64.66 48.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 34.11 111.106 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.461 HD23 ' H ' ' A' ' 438' ' ' GLN . 1.9 mm? -91.32 -34.16 15.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 61.0 110.964 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.72 105.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 64.43 110.869 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -35.69 40.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 73.11 110.905 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 3.8 m -52.74 -54.75 29.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 75.3 110.87 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 54.0 mt -74.05 -36.52 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.92 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -59.27 -35.47 73.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.32 111.101 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.22 -60.41 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 72.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -70.42 -35.48 73.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.929 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -51.99 -63.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 53.15 110.872 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -56.09 -35.97 67.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.896 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -59.65 4.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.858 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -70.73 -40.36 72.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.88 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.95 -35.9 47.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 75.21 110.907 -179.874 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.93 -35.81 46.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 74.2 111.119 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.75 -37.24 9.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.901 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 455' ' ' LYS . . . . . 0.485 ' O ' HG23 ' A' ' 456' ' ' THR . 0.1 OUTLIER -73.44 162.72 28.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.899 179.875 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 455' ' ' LYS . 0.0 OUTLIER -178.0 123.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 60.34 111.139 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.09 -73.93 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.51 110.891 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -179.2 -170.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.839 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.13 142.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 44.03 110.92 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 144.66 154.42 6.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 70.4 112.51 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.56 -44.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 74.2 110.9 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.99 173.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 65.12 110.894 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -138.24 -77.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 54.43 112.49 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -173.96 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 72.11 112.349 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -104.68 47.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 63.41 110.877 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.9 -35.7 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.876 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 65.2 110.881 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.859 0.362 . . . . 74.43 110.881 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.91 136.54 40.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 74.02 110.872 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -125.46 -170.25 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 50.42 111.096 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -151.75 147.49 26.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.44 111.128 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 15.0 p -167.69 142.3 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 61.04 110.842 -179.794 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -179.2 -177.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 74.35 110.883 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.86 143.26 13.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 65.14 111.122 -179.913 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 2.3 p -68.65 -58.61 3.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 65.44 110.86 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -40.38 64.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 74.02 110.85 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -35.27 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 75.42 110.886 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 9.9 t -69.22 -38.41 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 65.45 110.832 -179.764 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -75.11 -34.26 61.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 64.45 110.928 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' B' ' 383' ' ' LEU . 1.6 mp -67.76 -47.8 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 63.21 110.871 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.96 -28.99 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 64.41 110.924 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -35.92 57.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.908 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' B' ' 352' ' ' LEU . 88.5 mt -58.07 -42.03 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 75.43 111.119 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -71.94 -51.19 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.824 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.29 -42.12 81.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 75.04 111.101 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -54.99 -54.26 45.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.866 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.453 ' CG1' ' HB3' ' B' ' 376' ' ' ALA . 34.7 mt -64.63 -34.22 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 62.43 111.142 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -54.22 -52.18 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.3 110.884 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -74.84 -30.24 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.885 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.7 p -74.13 -7.63 53.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 71.21 110.814 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 47.8 mt -115.75 26.18 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 45.15 110.872 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 170.06 9.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.888 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.029 HD11 HG22 ' A' ' 403' ' ' ILE . 5.7 tp -84.29 -38.43 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.117 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.36 -31.64 15.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 64.14 110.878 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -109.75 36.55 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 65.1 110.914 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 406' ' ' PHE . 18.6 tp -53.38 107.4 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.923 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.1 81.85 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.903 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' A' ' 412' ' ' ILE . 10.7 m -62.06 -26.54 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 64.02 111.127 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -51.88 -39.58 59.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.891 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -34.36 59.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.82 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 47.2 t -53.24 -58.79 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 61.02 110.889 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.69 -40.45 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 64.33 111.079 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.92 -40.12 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 75.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.453 ' HB3' ' CG1' ' B' ' 359' ' ' ILE . . . -76.86 -49.77 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 73.15 111.129 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 377' ' ' LEU . . . . . 0.483 HD11 HG23 ' A' ' 412' ' ' ILE . 62.0 mt -52.15 -40.67 61.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.937 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -34.94 77.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 54.03 110.819 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -64.16 -49.41 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 62.51 110.869 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 1.013 HD23 HD13 ' A' ' 419' ' ' LEU . 7.6 tp -53.98 -49.91 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.904 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 381' ' ' ALA . . . . . 0.518 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -54.14 -25.98 25.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.129 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.1 t -79.73 -33.03 41.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 63.33 110.881 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' B' ' 352' ' ' LEU . 64.6 mt -76.02 115.06 15.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 71.02 110.956 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -77.16 63.32 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 65.43 110.906 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 385' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' B' ' 389' ' ' GLN . 7.0 p -66.93 134.9 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 70.11 111.13 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.5 t -88.51 173.77 8.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 45.24 111.116 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.11 88.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.841 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.16 -46.04 86.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 74.44 110.905 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 389' ' ' GLN . . . . . 0.493 ' HB3' HG23 ' B' ' 385' ' ' VAL . 0.4 OUTLIER -73.93 -41.47 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.92 -179.93 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.13 -49.78 75.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 62.03 111.101 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -51.74 -36.15 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 71.43 110.911 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -69.51 -36.01 76.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 54.25 110.892 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -95.41 35.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.813 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.527 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.1 OUTLIER -51.76 -40.41 60.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 54.13 111.151 -179.915 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -55.52 -41.59 73.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.94 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -49.2 77.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.908 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.75 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.2 mt -58.85 -44.84 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 71.44 111.124 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 398' ' ' THR . . . . . 0.412 HG22 ' HE2' ' B' ' 402' ' ' LYS . 15.5 m -54.01 -36.29 62.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 55.43 111.171 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.2 m -69.53 -36.12 76.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 71.54 111.165 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' B' ' 397' ' ' ILE . 17.1 mt -62.2 -35.12 77.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.934 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.22 -28.8 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 60.31 110.864 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 402' ' ' LYS . . . . . 0.412 ' HE2' HG22 ' B' ' 398' ' ' THR . 46.6 mttm -75.46 -35.76 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 72.14 110.882 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.993 HG22 HD11 ' A' ' 365' ' ' ILE . 36.9 pt -72.96 -1.82 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 52.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.86 -34.25 45.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.35 110.816 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.18 -20.04 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 65.42 110.818 -179.894 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.51 ' CD2' HD13 ' A' ' 368' ' ' LEU . 0.3 OUTLIER -40.2 120.38 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 70.24 110.886 -179.912 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.33 134.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.2 110.879 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.4 p -59.22 134.4 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 71.22 111.147 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.8 t -70.26 172.42 8.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 64.22 110.879 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -73.01 -34.65 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.898 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 411' ' ' VAL . . . . . 0.409 HG13 HG13 ' B' ' 412' ' ' ILE . 5.3 p -53.09 -40.97 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 73.1 111.105 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.597 HD11 ' HB ' ' A' ' 370' ' ' VAL . 94.7 mt -73.65 -48.66 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 71.34 111.14 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.7 mtm -57.37 -33.44 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.892 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -51.16 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.862 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -61.08 -38.77 87.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 74.32 110.852 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 78.6 p -55.09 -50.1 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 61.13 110.837 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 61.7 m -52.76 -45.89 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 52.43 111.149 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -51.74 -55.01 22.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 74.22 110.885 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 1.007 HD13 HD23 ' A' ' 380' ' ' LEU . 36.0 mt -66.46 -35.94 81.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 43.52 110.879 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -61.15 -61.25 2.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.938 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -58.18 -38.8 77.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 72.53 110.86 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -53.18 -46.01 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.924 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -75.46 -35.85 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 54.34 110.911 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -52.81 -57.76 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 71.03 110.925 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -51.85 -35.43 44.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 62.42 110.913 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.73 -34.36 64.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.867 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.51 -36.39 76.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 71.21 110.868 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.554 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.4 pp -85.58 -35.07 21.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 72.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.554 ' N ' HD12 ' B' ' 428' ' ' LEU . 99.0 t 59.47 83.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.099 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 430' ' ' GLY . . . . . 0.422 ' N ' HD12 ' B' ' 428' ' ' LEU . . . 52.05 -109.13 0.78 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 42.01 112.497 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -163.06 -175.21 4.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 62.22 110.854 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -96.13 -167.25 34.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 64.44 112.529 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.19 83.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.819 0.342 . . . . 74.12 110.868 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.36 172.1 1.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 63.33 110.805 -179.76 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 9.3 m -104.5 68.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 65.41 111.134 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 47.4 mt -150.19 144.24 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 70.25 111.141 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 7.2 t -147.67 -173.79 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 73.13 111.166 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 67.38 121.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 54.42 110.905 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 11.3 t 60.61 54.91 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.15 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.12 -35.74 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.924 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.71 120.63 7.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 71.33 110.936 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.46 -37.59 11.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.889 179.926 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 3.7 m -52.47 -54.93 25.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 55.1 110.84 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 54.7 mt -70.21 -35.46 73.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.927 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -59.57 -35.46 74.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 72.51 111.11 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.24 -60.67 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 74.42 110.848 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -70.47 -35.61 73.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.88 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 5.9 ttp85 -52.1 -63.04 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.889 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -56.04 -36.22 67.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 73.21 110.928 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.19 -59.23 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 65.3 110.902 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -70.13 -41.05 74.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.906 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -35.96 47.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 65.55 110.872 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.48 -35.45 40.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 64.13 111.122 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.81 -36.8 9.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 73.42 110.868 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 455' ' ' LYS . . . . . 0.497 ' O ' HG23 ' B' ' 456' ' ' THR . 0.1 OUTLIER -73.48 163.08 28.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 72.25 110.881 179.908 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 456' ' ' THR . . . . . 0.497 HG23 ' O ' ' B' ' 455' ' ' LYS . 0.0 OUTLIER -178.26 123.92 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 63.12 111.137 179.943 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.63 -74.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.899 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -179.17 -170.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.87 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.65 144.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 60.35 110.903 -179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 140.38 154.91 6.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.671 -0.776 . . . . 71.53 112.453 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.61 -74.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 72.41 110.886 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 156.94 30.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 72.34 110.907 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -113.98 -165.05 15.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 65.23 112.511 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 113.87 3.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 74.05 112.366 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -167.41 -39.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.901 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.3 -46.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.923 179.909 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 61.23 110.877 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.911 0.386 . . . . 74.34 110.867 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.47 98.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 73.04 110.881 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -178.28 -75.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 50.24 111.101 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . 58.37 96.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.12 111.122 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.43 115.33 13.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 73.0 110.902 -179.81 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.49 -68.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 71.32 110.9 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.25 170.44 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 73.11 111.202 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 1.4 m -63.21 -48.06 79.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 60.3 110.893 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.8 tpt -53.47 -43.65 68.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 71.15 110.858 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.45 -36.04 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.881 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 57.9 m -63.87 -41.14 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.843 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -33.33 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.879 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.709 ' HA ' HD12 ' A' ' 355' ' ' ILE . 13.0 mt -71.23 -46.99 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.52 110.916 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -58.11 -27.55 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.925 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -77.02 -36.5 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.878 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 352' ' ' LEU . 23.3 mt -64.04 -36.96 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 73.14 111.109 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -71.99 -46.59 56.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.893 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.83 -39.42 83.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 63.02 111.099 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.98 -42.17 72.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 64.34 110.857 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.423 HG22 HD12 ' A' ' 363' ' ' LEU . 25.0 mt -74.4 -29.2 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 73.32 111.132 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -58.66 -52.2 66.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 71.35 110.911 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -73.35 -31.22 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 61.12 110.877 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -74.61 -6.24 47.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 73.51 110.86 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.423 HD12 HG22 ' A' ' 359' ' ' ILE . 38.9 mt -117.28 26.01 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 63.44 110.875 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 169.34 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.893 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 1.029 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.46 -38.61 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.13 111.147 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.16 -32.68 15.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.25 110.875 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -109.97 36.55 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 65.54 110.865 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' B' ' 406' ' ' PHE . 16.7 tp -53.18 107.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 61.41 110.914 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -129.05 77.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.902 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.77 ' HB ' HD11 ' B' ' 412' ' ' ILE . 15.3 m -59.22 -28.31 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 73.32 111.128 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -52.14 -39.19 59.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.873 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -33.95 60.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.85 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 32.7 t -53.37 -58.28 7.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 70.04 110.876 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.42 -47.36 58.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 55.44 111.122 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.35 -35.05 36.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.874 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.535 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.95 -51.22 11.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.24 111.078 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.88 -35.05 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 72.3 110.869 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -49.03 76.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 44.25 110.841 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.86 -46.47 87.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 34.12 110.888 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.597 HD11 ' HZ ' ' B' ' 423' ' ' PHE . 1.4 tm? -52.3 -47.73 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 52.31 110.948 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.68 76.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 53.33 111.05 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -73.71 -36.13 65.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.849 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 58.7 mt -67.71 110.58 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 63.21 110.916 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -77.37 61.52 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 74.02 110.923 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.22 138.28 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 44.12 111.152 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -93.92 173.16 7.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 72.12 111.102 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 11.6 tpt -57.04 -38.55 73.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.851 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -51.85 -59.17 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 70.25 110.895 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.19 -36.17 82.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 70.44 110.885 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.39 -49.31 74.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 73.34 111.14 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.46 -35.83 41.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.892 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 -34.09 59.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.853 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -95.09 35.59 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 70.14 110.875 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.576 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.9 OUTLIER -58.15 -35.18 71.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 63.35 111.127 -179.873 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.04 -42.89 91.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.884 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.617 ' HE1' HD22 ' A' ' 352' ' ' LEU . 11.9 ttp -55.19 -49.05 72.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.914 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.3 mt -58.23 -42.36 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 64.34 111.09 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 17.5 m -54.05 -37.52 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 71.25 111.173 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 73.5 m -70.36 -42.08 72.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 64.32 111.16 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 397' ' ' ILE . 32.0 mt -53.49 -38.98 64.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.932 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -76.23 -28.76 57.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 75.05 110.937 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -75.59 -34.51 60.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 71.01 110.874 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.061 HG22 HD11 ' B' ' 365' ' ' ILE . 40.8 pt -75.14 -2.22 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.44 111.098 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -34.5 54.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 64.01 110.929 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.75 -12.58 9.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.891 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.588 ' CD1' HD13 ' B' ' 368' ' ' LEU . 3.4 t80 -44.27 115.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.928 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -174.04 138.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.945 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.1 p -67.49 134.4 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 43.23 111.129 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 36.9 t -69.22 168.28 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.85 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -70.74 -36.11 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.903 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.5 p -53.42 -38.62 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 73.11 111.131 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.64 HD11 ' HB ' ' B' ' 370' ' ' VAL . 91.1 mt -75.0 -45.34 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.148 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 15.2 mtm -59.33 -51.32 70.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.12 110.882 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -62.91 -35.56 80.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.831 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -70.91 -38.62 72.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 75.21 110.862 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 416' ' ' SER . . . . . 0.479 ' HB2' HD11 ' B' ' 403' ' ' ILE . 49.2 p -61.04 -47.46 86.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 71.33 110.914 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 71.9 m -53.33 -41.42 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 73.02 111.099 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.7 ttp -55.21 -46.66 75.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.21 110.894 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.445 HD22 HD12 ' B' ' 380' ' ' LEU . 67.5 mt -74.32 -41.48 61.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 71.2 110.913 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -53.07 -54.47 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.945 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -63.08 -36.07 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 73.14 110.899 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -53.45 -53.52 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.898 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.576 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 21.6 m-85 -71.39 -36.02 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 74.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -56.35 -45.12 80.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 63.42 110.912 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.17 -35.43 77.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 44.24 110.923 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 17.0 mtm -76.05 -35.18 59.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 74.21 110.913 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -73.01 -36.98 67.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 65.35 110.877 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.4 pp -84.27 -34.98 23.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.911 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.508 ' N ' HD12 ' A' ' 428' ' ' LEU . 96.5 t 56.58 94.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 70.12 111.149 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -167.58 -38.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.734 . . . . 25.3 112.505 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 62.96 40.8 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 75.24 110.867 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -176.8 -39.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 64.41 112.477 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 10.8 t70 62.83 101.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 72.32 110.891 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 4.5 t -134.13 169.88 16.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 75.02 110.858 -179.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 2.0 m -49.75 102.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 45.03 111.126 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.413 ' C ' HG23 ' A' ' 437' ' ' THR . 50.2 mt -151.04 -74.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 70.31 111.11 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 436' ' ' ILE . 1.3 p 63.16 156.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.3 111.149 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 65.22 69.91 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.931 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 439' ' ' VAL . 8.7 p -168.47 37.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 34.11 111.151 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.76 92.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 61.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -171.36 -40.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 64.43 110.886 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 13.72 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.917 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 43.3 p -57.53 -55.12 38.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 75.3 110.88 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.04 -47.32 37.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 75.3 110.948 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -53.11 -35.59 59.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 72.32 111.099 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -39.12 78.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 72.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -52.0 -53.79 37.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 64.54 110.885 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -75.11 -35.65 61.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 53.15 110.858 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -51.7 -35.85 44.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.885 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -36.24 80.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.869 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -55.57 5.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 75.33 110.878 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -52.37 -36.29 53.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.891 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.89 -36.55 49.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.2 111.145 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -58.75 -42.56 89.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.873 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -58.08 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.915 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 91.2 m -52.2 142.0 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 60.34 111.15 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.58 45.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 72.51 110.896 179.888 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.76 154.81 2.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 75.11 110.825 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -89.88 166.04 13.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 44.03 110.893 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -142.76 -59.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 70.4 112.491 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.77 141.53 31.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 74.2 110.889 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -87.71 170.51 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 65.12 110.899 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 164.07 177.93 37.2 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.757 -0.735 . . . . 54.43 112.485 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 86.28 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 72.11 112.348 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -116.37 135.59 53.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 63.41 110.901 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.85 -41.19 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.886 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 65.2 110.903 179.903 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.901 0.381 . . . . 74.43 110.856 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.56 92.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 74.02 110.9 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -169.25 -66.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 50.42 111.096 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . 63.69 97.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 75.44 111.125 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.52 120.38 26.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 61.04 110.838 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.61 -65.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 74.35 110.909 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.19 170.58 4.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 65.14 111.129 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 1.4 m -65.25 -48.14 74.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 65.44 110.901 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.8 tpt -53.22 -43.61 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 74.02 110.877 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.99 -36.88 67.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.858 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 57.8 m -62.62 -41.37 98.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 65.45 110.842 -179.74 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -33.67 62.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 64.45 110.884 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.8 ' HA ' HD12 ' B' ' 355' ' ' ILE . 13.8 mt -71.33 -47.64 55.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 63.21 110.9 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -58.37 -29.17 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.41 110.901 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -74.69 -37.7 62.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 71.42 110.843 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' B' ' 352' ' ' LEU . 13.7 mt -63.38 -35.95 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.43 111.116 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -71.54 -44.02 65.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.87 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.58 77.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 75.04 111.085 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.13 -42.93 73.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.89 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.411 HG22 HD12 ' B' ' 363' ' ' LEU . 29.6 mt -71.97 -34.49 50.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 62.43 111.13 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -56.71 -48.05 78.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 74.3 110.887 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.65 -31.54 59.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.88 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 5.8 p -75.82 -5.68 47.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.849 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.411 HD12 HG22 ' B' ' 359' ' ' ILE . 45.8 mt -118.1 26.39 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 45.15 110.911 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 170.97 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.917 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.061 HD11 HG22 ' A' ' 403' ' ' ILE . 5.2 tp -84.4 -40.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 74.33 111.134 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.401 ' N ' HG23 ' B' ' 365' ' ' ILE . 10.4 p-10 -91.29 -32.27 15.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 64.14 110.863 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -109.05 36.47 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 65.1 110.882 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.588 HD13 ' CD1' ' A' ' 406' ' ' PHE . 15.7 tp -53.39 107.4 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.919 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -131.76 81.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.857 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.64 ' HB ' HD11 ' A' ' 412' ' ' ILE . 8.9 m -61.69 -26.79 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 64.02 111.128 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -51.96 -39.54 59.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.842 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -33.79 60.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 64.21 110.899 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 23.7 t -53.12 -57.93 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 61.02 110.891 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.49 -46.17 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 64.33 111.113 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.67 -35.44 42.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.65 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.9 -50.27 13.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 73.15 111.132 179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 377' ' ' LEU . . . . . 0.491 HD11 HG23 ' A' ' 412' ' ' ILE . 19.2 mt -52.09 -35.55 48.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.878 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -48.92 74.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 54.03 110.868 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.41 -46.63 86.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 62.51 110.866 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.576 HD11 ' HZ ' ' A' ' 423' ' ' PHE . 0.9 OUTLIER -52.47 -50.48 62.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.925 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -58.92 -34.02 71.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 71.22 111.075 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -74.37 -36.69 63.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 63.33 110.851 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.33 110.51 3.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 71.02 110.895 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.7 60.68 2.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 65.43 110.91 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -69.76 137.92 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 70.11 111.114 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -92.91 173.33 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 45.24 111.11 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 11.5 tpt -57.49 -38.43 74.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 75.31 110.93 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -51.78 -58.19 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.907 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.1 -36.24 81.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.906 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.61 75.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 62.03 111.124 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -52.0 -35.87 48.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 71.43 110.904 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -35.25 61.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 54.25 110.873 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -95.17 35.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.844 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.475 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.9 OUTLIER -58.3 -35.32 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 54.13 111.128 -179.86 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -41.27 85.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.866 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 396' ' ' MET . . . . . 0.686 ' HE1' HD22 ' B' ' 352' ' ' LEU . 8.9 ttp -55.36 -52.06 64.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.844 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.75 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.9 mp -54.68 -44.18 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 71.44 111.142 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 19.8 m -54.03 -35.28 61.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 55.43 111.194 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.5 m -72.68 -40.42 66.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 71.54 111.2 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' B' ' 397' ' ' ILE . 19.4 mt -57.44 -37.32 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.923 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -75.65 -28.61 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 60.31 110.904 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.69 -36.25 60.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.871 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 1.029 HG22 HD11 ' A' ' 365' ' ' ILE . 38.5 pt -73.23 -0.84 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 52.0 111.168 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -35.12 45.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.903 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.53 -19.0 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 65.42 110.848 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -39.93 117.66 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 70.24 110.911 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.35 141.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 62.2 110.936 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.418 HG13 ' CE2' ' A' ' 406' ' ' PHE . 15.6 m -69.4 133.86 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 71.22 111.116 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 36.1 t -69.11 164.7 21.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 64.22 110.883 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -63.7 -35.49 80.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.947 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -53.63 -36.52 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 73.1 111.12 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.77 HD11 ' HB ' ' A' ' 370' ' ' VAL . 91.5 mt -74.47 -46.64 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.34 111.137 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 14.1 mtm -61.34 -52.26 65.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 75.13 110.903 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.33 -36.17 75.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.925 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -71.19 -39.37 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.874 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.506 ' HB2' HD11 ' A' ' 403' ' ' ILE . 41.1 p -60.42 -48.42 81.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 61.13 110.885 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 57.6 m -52.5 -42.36 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 52.43 111.174 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 3.7 ttp -54.73 -46.47 74.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.22 110.913 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.507 HD22 HD12 ' A' ' 380' ' ' LEU . 60.2 mt -74.03 -42.69 59.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 43.52 110.923 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -51.14 -57.52 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 75.05 110.92 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -58.86 -35.34 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.869 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -54.55 -53.53 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.95 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.597 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 94.0 m-85 -70.52 -37.01 74.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 54.34 110.861 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -56.81 -45.88 81.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 71.03 110.927 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -35.94 76.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 62.42 110.901 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 17.7 mtm -76.63 -34.98 58.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.894 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.4 -36.05 65.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.94 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.507 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.3 pp -85.16 -35.4 21.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 72.0 110.943 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.507 ' N ' HD12 ' B' ' 428' ' ' LEU . 98.7 t 56.27 93.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 74.44 111.14 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -167.35 -36.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 42.01 112.491 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 62.98 35.76 13.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 62.22 110.888 -179.879 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -173.17 -40.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 64.44 112.513 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 10.7 t70 52.35 88.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 74.12 110.871 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 4.1 t -148.6 118.16 7.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 63.33 110.87 -179.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.41 HG12 ' N ' ' B' ' 436' ' ' ILE . 3.1 t 62.66 160.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 65.41 111.142 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.515 ' O ' HG23 ' B' ' 437' ' ' THR . 17.2 mt 67.33 154.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 70.25 111.133 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.515 HG23 ' O ' ' B' ' 436' ' ' ILE . 0.0 OUTLIER -179.33 87.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.13 111.11 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 178.0 46.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 54.42 110.935 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 16.3 t -144.72 56.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.11 111.117 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.12 99.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.919 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -174.64 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 71.33 110.834 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.13 13.35 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.872 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 43.8 p -57.77 -55.02 40.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 55.1 110.813 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.57 -46.1 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 73.22 110.937 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.88 64.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 72.51 111.111 179.771 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.47 -39.24 79.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.856 -179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -51.92 -52.13 52.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 75.01 110.935 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -76.34 -36.0 58.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.831 -179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -51.99 -36.24 49.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.93 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -36.44 82.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 65.3 110.852 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -54.76 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 75.43 110.848 -179.891 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -53.43 -36.28 61.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 65.55 110.89 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.92 -36.17 48.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 64.13 111.17 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -58.9 -42.39 89.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.42 110.89 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -58.05 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 72.25 110.925 179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 90.2 m -52.54 141.66 19.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.12 111.154 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.15 45.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 73.2 110.874 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.65 154.73 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 72.44 110.83 179.888 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -89.75 166.15 13.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 60.35 110.897 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -142.63 -59.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 71.53 112.473 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.85 141.52 31.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 72.41 110.877 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -87.53 170.43 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.91 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 164.04 177.98 37.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 65.23 112.495 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 86.01 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 74.05 112.336 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -116.13 135.29 54.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 71.54 110.907 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.67 -41.08 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.847 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 61.23 110.899 179.903 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.819 0.342 . . . . 74.34 110.846 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -172.59 162.22 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 73.04 110.84 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -175.28 172.14 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 50.24 111.093 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -117.46 -67.25 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.106 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 54.1 75.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.0 110.85 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -139.13 173.81 11.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 71.32 110.921 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.04 170.12 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.11 111.119 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -57.76 4.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 60.3 110.867 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.27 -38.58 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 71.15 110.922 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.56 -34.25 62.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 75.24 110.847 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 28.6 t -70.6 -37.46 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.879 -179.774 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.661 ' CZ ' HD21 ' A' ' 383' ' ' LEU . 9.7 ptm180 -75.0 -34.15 61.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 74.54 110.93 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.558 ' HA ' HD12 ' A' ' 355' ' ' ILE . 0.9 OUTLIER -69.87 -47.54 62.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.895 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -57.6 -30.77 65.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.904 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -77.1 -37.21 54.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.873 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' A' ' 352' ' ' LEU . 20.3 mt -64.96 -41.87 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 73.14 111.129 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -72.32 -41.6 66.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.855 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.72 77.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 63.02 111.106 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.86 -45.63 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 64.34 110.888 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 33.7 mt -66.0 -32.54 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 73.32 111.111 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -54.54 -52.34 62.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 71.35 110.916 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -75.42 -26.9 58.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 61.12 110.857 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.4 p -77.52 -4.62 46.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.51 110.88 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 50.8 mt -120.11 25.75 9.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 63.44 110.965 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 169.91 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.13 110.925 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 1.042 HD11 HG22 ' B' ' 403' ' ' ILE . 6.0 tp -84.43 -38.49 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.13 111.131 179.879 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -92.43 -32.2 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.919 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -110.88 36.6 3.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 65.54 110.817 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 18.8 tp -53.15 107.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 61.41 110.845 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -127.77 76.96 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 74.15 110.896 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.761 ' HB ' HD11 ' B' ' 412' ' ' ILE . 15.0 m -58.83 -28.25 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.079 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -41.48 62.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.9 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -75.73 -35.3 60.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.871 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 49.3 t -53.72 -45.94 70.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 70.04 110.88 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 374' ' ' ILE . . . . . 0.508 HG23 ' HE3' ' B' ' 415' ' ' LYS . 4.1 mt -65.52 -48.19 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 55.44 111.132 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -51.7 -34.16 37.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.873 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.427 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.74 -53.84 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.094 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 20.6 mt -51.99 -35.78 47.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 72.3 110.9 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -44.09 91.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 44.25 110.836 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -46.59 89.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 34.12 110.901 -179.893 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.552 HD11 ' HZ ' ' B' ' 423' ' ' PHE . 1.1 tm? -52.23 -53.84 38.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 52.31 110.903 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.487 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -56.39 -35.24 67.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 53.33 111.088 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 2.3 t -66.27 -34.75 78.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.838 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.661 HD21 ' CZ ' ' A' ' 351' ' ' ARG . 84.3 mt -73.79 139.65 45.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 63.21 110.953 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -101.77 56.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.02 110.913 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.81 140.6 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 44.12 111.148 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.1 t -98.39 170.13 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.12 111.17 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -34.9 56.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.895 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -52.74 -59.25 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 70.25 110.943 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -36.38 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 70.44 110.903 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.99 84.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.34 111.104 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 391' ' ' GLN . . . . . 0.549 ' O ' HG23 ' A' ' 394' ' ' THR . 21.7 mt-30 -51.42 -36.19 42.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.942 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -75.51 -34.15 60.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.906 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.518 ' CG ' HD23 ' A' ' 352' ' ' LEU . 74.0 m80 -95.18 35.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 70.14 110.902 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 391' ' ' GLN . 1.8 p -57.95 -34.98 70.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 63.35 111.149 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.05 -42.61 90.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 65.31 110.892 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 36.5 ttp -55.32 -49.63 71.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.857 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.2 mt -57.41 -41.89 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 64.34 111.106 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 2.3 m -54.13 -37.53 64.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 71.25 111.186 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 91.5 m -70.95 -40.82 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 64.32 111.097 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 397' ' ' ILE . 36.7 mt -54.27 -38.03 65.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.925 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -76.48 -28.55 56.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.912 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -75.51 -34.64 60.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 71.01 110.89 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.055 HG22 HD11 ' B' ' 365' ' ' ILE . 38.2 pt -74.49 -2.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.163 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -34.13 58.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 64.01 110.878 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.43 -12.7 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.867 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.582 ' CE2' HD13 ' B' ' 368' ' ' LEU . 5.9 t80 -44.44 114.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.912 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -173.29 139.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.879 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.1 p -66.31 134.59 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 43.23 111.123 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.1 t -68.35 171.62 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.852 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -74.67 -32.94 62.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.925 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -58.62 -37.08 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 73.11 111.178 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.626 HD11 ' HB ' ' B' ' 370' ' ' VAL . 84.7 mt -75.16 -45.18 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.31 111.16 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 15.4 mtm -58.54 -49.88 75.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 65.12 110.919 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.05 -33.99 77.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 73.25 110.891 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.514 ' HE3' HG23 ' B' ' 374' ' ' ILE . 31.8 mttm -70.95 -35.83 72.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.886 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 416' ' ' SER . . . . . 0.453 ' HB2' HD11 ' B' ' 403' ' ' ILE . 52.4 p -63.63 -47.83 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.869 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 91.8 m -52.58 -41.71 63.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 73.02 111.122 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -52.21 -49.92 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.884 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' B' ' 381' ' ' ALA . 53.0 mt -74.35 -38.52 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 71.2 110.907 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -55.22 -45.46 75.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.975 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -36.24 70.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.936 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -55.48 -51.01 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.907 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.493 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 76.9 m-85 -73.76 -35.39 65.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 74.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 424' ' ' LYS . . . . . 0.409 ' HG3' ' ND2' ' A' ' 441' ' ' ASN . 13.1 tttm -62.83 -36.37 82.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 63.42 110.91 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.27 -46.58 88.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 44.24 110.892 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 14.7 ptp -78.03 -33.33 51.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.843 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.451 ' CZ ' HG22 ' B' ' 394' ' ' THR . 1.9 m-85 -66.47 -36.21 82.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 65.35 110.834 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 1.7 pp -85.56 -33.42 21.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.894 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.8 t 60.18 96.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 70.12 111.176 179.847 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -61.83 127.01 40.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 25.3 112.489 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.52 -41.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 75.24 110.923 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -104.28 -45.04 1.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 64.41 112.515 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -171.82 110.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 72.32 110.888 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 39.6 t -157.43 62.83 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.844 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.616 HG13 HG13 ' A' ' 436' ' ' ILE . 7.9 p -168.68 155.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 45.03 111.077 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.616 HG13 HG13 ' A' ' 435' ' ' VAL . 16.2 mt 68.29 156.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 70.31 111.123 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.407 ' N ' HG22 ' A' ' 436' ' ' ILE . 0.2 OUTLIER 56.57 -170.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 73.3 111.156 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.25 160.19 14.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.927 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 27.7 m -146.9 -176.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 34.11 111.112 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.3 -69.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 61.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 441' ' ' ASN . . . . . 0.451 ' C ' ' HB2' ' A' ' 445' ' ' ALA . 0.4 OUTLIER -179.39 -173.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 64.43 110.893 179.933 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.12 -68.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.912 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.47 -55.04 7.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.873 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 2.0 mt -66.19 -33.83 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 75.3 110.963 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.451 ' HB2' ' C ' ' A' ' 441' ' ' ASN . . . -50.96 -33.91 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.088 179.794 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -55.07 -58.99 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 72.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -48.0 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 64.54 110.909 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -35.48 42.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 53.15 110.887 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -36.0 43.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.931 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -73.03 -35.77 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.51 110.872 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -59.2 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 75.33 110.919 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.82 -36.11 46.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.864 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.53 42.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.2 111.061 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -76.31 -36.9 58.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.14 110.866 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -172.29 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.86 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 22.1 p -142.69 -172.84 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 60.34 111.167 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.63 -179.68 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.893 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -174.6 132.85 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 75.11 110.868 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -169.54 175.03 5.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 44.03 110.927 -179.888 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -141.15 -168.52 11.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 70.4 112.519 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.05 -172.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 74.2 110.945 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -173.93 142.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 65.12 110.904 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 135.47 -172.86 21.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 54.43 112.467 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -41.12 4.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.233 . . . . 72.11 112.316 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.76 108.74 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 63.41 110.912 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -93.05 -61.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.909 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 65.2 110.907 179.843 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.86 0.362 . . . . 74.43 110.888 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -172.63 162.22 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 74.02 110.92 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -175.15 172.17 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 50.42 111.052 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -117.94 -67.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 75.44 111.133 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 54.51 75.81 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.04 110.875 -179.786 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -139.09 174.24 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.35 110.915 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.31 170.16 6.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 65.14 111.105 -179.885 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -56.21 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 65.44 110.868 -179.865 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.43 -38.44 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 74.02 110.884 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.18 -34.67 63.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.42 110.865 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 28.9 t -69.82 -35.9 75.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 65.45 110.897 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -76.63 -32.38 57.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 64.45 110.882 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.467 HD23 ' CG ' ' B' ' 393' ' ' HIS . 1.0 OUTLIER -73.76 -43.38 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 63.21 110.945 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -61.06 -40.45 93.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.959 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -70.88 -35.23 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 71.42 110.899 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 33.1 mt -65.4 -41.49 91.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 75.43 111.136 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -72.29 -38.39 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.852 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.83 -39.48 72.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 75.04 111.079 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.81 -43.35 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.897 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.405 HG23 ' SG ' ' B' ' 373' ' ' CYS . 30.5 mt -67.02 -35.5 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 62.43 111.106 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -55.96 -49.6 73.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.888 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -74.95 -29.52 60.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 75.2 110.901 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.1 p -77.78 -3.87 43.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 71.21 110.834 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 50.3 mt -120.61 26.28 9.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 45.15 110.94 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 171.24 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 72.41 110.88 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.055 HD11 HG22 ' A' ' 403' ' ' ILE . 5.6 tp -84.48 -39.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.116 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.407 ' N ' HG23 ' B' ' 365' ' ' ILE . 12.4 p-10 -91.97 -31.78 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 64.14 110.842 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -109.87 36.45 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 65.1 110.88 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.582 HD13 ' CE2' ' A' ' 406' ' ' PHE . 17.4 tp -53.1 107.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.939 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -129.85 80.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.12 110.838 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.626 ' HB ' HD11 ' A' ' 412' ' ' ILE . 8.8 m -61.18 -26.47 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 64.02 111.095 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -41.71 62.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.914 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -75.85 -35.01 60.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 64.21 110.876 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.405 ' SG ' HG23 ' B' ' 359' ' ' ILE . 41.9 t -53.71 -45.67 70.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 61.02 110.905 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.514 HG23 ' HE3' ' A' ' 415' ' ' LYS . 4.4 mt -65.41 -47.66 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 64.33 111.166 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.92 -35.45 45.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 75.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -74.0 -54.01 8.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 73.15 111.079 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.16 -35.98 50.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.945 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -42.24 95.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 54.03 110.877 179.836 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -47.82 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 62.51 110.886 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.493 HD11 ' HZ ' ' A' ' 423' ' ' PHE . 1.2 tm? -52.4 -54.36 33.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 72.31 110.888 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 381' ' ' ALA . . . . . 0.459 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -55.3 -34.93 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.103 179.84 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 2.3 t -68.32 -35.19 77.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 63.33 110.865 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.01 139.25 46.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 71.02 110.903 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -101.28 56.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 65.43 110.956 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.06 140.54 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 70.11 111.149 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -97.91 170.94 8.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 45.24 111.171 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -35.65 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.857 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -52.54 -59.15 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.94 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -36.03 75.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.927 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.27 87.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 62.03 111.085 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 391' ' ' GLN . . . . . 0.582 ' O ' HG23 ' B' ' 394' ' ' THR . 21.5 mt-30 -51.73 -35.79 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.43 110.887 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -75.5 -34.99 60.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 54.25 110.892 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 393' ' ' HIS . . . . . 0.467 ' CG ' HD23 ' B' ' 352' ' ' LEU . 72.7 m80 -95.14 35.68 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.837 179.894 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.582 HG23 ' O ' ' B' ' 391' ' ' GLN . 2.8 p -58.64 -37.6 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 54.13 111.128 -179.919 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.77 -42.49 75.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.34 110.901 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 396' ' ' MET . . . . . 0.403 ' HE3' HD21 ' B' ' 380' ' ' LEU . 39.7 ttp -55.35 -50.97 68.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.932 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.3 mt -57.55 -36.49 54.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.119 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 2.4 m -57.71 -36.33 71.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 55.43 111.126 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.1 m -74.03 -40.36 62.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 71.54 111.151 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' B' ' 397' ' ' ILE . 49.1 mt -51.98 -38.95 58.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.11 110.899 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -75.75 -28.93 58.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 60.31 110.85 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -74.68 -36.4 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.884 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 1.042 HG22 HD11 ' A' ' 365' ' ' ILE . 35.7 pt -73.38 -0.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 52.0 111.089 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -34.49 41.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 71.35 110.88 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.55 -19.27 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 65.42 110.847 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.479 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -39.83 117.83 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 70.24 110.888 -179.907 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -175.07 142.36 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 62.2 110.888 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 19.4 m -71.28 132.01 33.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.125 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 34.7 t -67.42 164.83 17.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.864 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -63.45 -35.11 79.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 73.33 110.917 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.8 p -54.32 -35.83 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 73.1 111.147 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.761 HD11 ' HB ' ' A' ' 370' ' ' VAL . 95.3 mt -74.68 -47.52 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 71.34 111.165 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.6 mtt -60.89 -50.6 72.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.91 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -61.72 -34.58 76.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.91 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 415' ' ' LYS . . . . . 0.508 ' HE3' HG23 ' A' ' 374' ' ' ILE . 33.9 mttm -73.02 -35.08 66.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 74.32 110.884 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.497 ' HB2' HD11 ' A' ' 403' ' ' ILE . 36.5 p -63.57 -48.37 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 61.13 110.897 -179.878 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.7 m -52.36 -41.32 62.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 52.43 111.153 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -52.55 -50.35 63.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.22 110.834 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 381' ' ' ALA . 53.9 mt -74.11 -37.86 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 43.52 110.936 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -56.43 -44.05 80.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.05 110.929 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -38.18 65.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 72.53 110.854 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -53.71 -51.09 64.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 71.45 110.9 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.552 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 21.4 m-85 -74.9 -34.24 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 54.34 110.838 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 424' ' ' LYS . . . . . 0.407 ' O ' HD23 ' B' ' 428' ' ' LEU . 13.6 tttm -62.99 -34.82 78.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.03 110.907 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.07 -46.17 91.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 62.42 110.895 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 14.5 ptp -77.55 -33.24 54.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.854 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -66.41 -36.23 82.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 71.21 110.872 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.577 HD11 ' OG ' ' B' ' 434' ' ' SER . 1.6 pp -85.72 -33.08 21.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 72.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 97.3 t 60.1 97.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.09 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -62.29 125.72 36.51 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 42.01 112.46 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.65 -46.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 62.22 110.872 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -103.35 -38.13 2.91 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 64.44 112.426 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -174.86 97.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 74.12 110.894 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 434' ' ' SER . . . . . 0.577 ' OG ' HD11 ' B' ' 428' ' ' LEU . 42.6 t -130.35 35.75 4.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 63.33 110.888 -179.759 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.585 ' O ' HG23 ' B' ' 436' ' ' ILE . 3.5 p -155.68 115.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 65.41 111.108 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.585 HG23 ' O ' ' B' ' 435' ' ' VAL . 0.7 OUTLIER -169.57 -178.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 70.25 111.123 179.908 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 73.13 111.121 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -114.21 160.8 18.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 54.42 110.926 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 27.4 m -150.72 -178.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 74.11 111.138 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.14 -74.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.913 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 441' ' ' ASN . . . . . 0.441 ' C ' ' HB2' ' B' ' 445' ' ' ALA . 0.6 OUTLIER -177.58 -175.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 71.33 110.903 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.24 -68.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.903 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.79 -55.11 8.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 55.1 110.886 -179.88 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 2.0 mt -66.06 -33.95 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 73.22 110.924 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 445' ' ' ALA . . . . . 0.441 ' HB2' ' C ' ' B' ' 441' ' ' ASN . . . -50.73 -33.72 24.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 72.51 111.14 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -55.18 -60.42 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.858 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -48.41 41.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 75.01 110.907 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -35.17 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.888 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -35.91 44.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 73.21 110.885 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -72.96 -36.73 67.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 65.3 110.901 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.97 -59.15 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.86 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.81 -36.06 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 65.55 110.884 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.53 42.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 64.13 111.125 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -76.35 -36.71 58.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.874 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -171.66 3.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.25 110.901 179.909 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 22.4 p -143.29 -173.35 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 63.12 111.128 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -179.72 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.905 179.926 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -174.54 132.66 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 72.44 110.911 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -169.48 174.88 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 60.35 110.874 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -141.04 -168.57 11.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.697 -0.763 . . . . 71.53 112.503 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.91 -172.92 2.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 72.41 110.863 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -173.94 141.83 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 72.34 110.869 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 135.7 -172.84 22.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.735 . . . . 65.23 112.495 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -41.21 4.43 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.703 2.269 . . . . 74.05 112.309 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.61 108.73 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 71.54 110.9 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -93.09 -61.28 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.894 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 61.23 110.921 179.866 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.832 0.349 . . . . 74.34 110.876 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -179.07 158.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 73.04 110.911 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -169.53 174.59 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 50.24 111.117 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -136.11 -71.65 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 74.12 111.091 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.92 -174.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 73.0 110.865 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 60.0 -179.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 71.32 110.905 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.73 159.91 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.185 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 66.6 m -69.4 -59.47 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 60.3 110.808 -179.834 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.8 tpt -53.51 -37.74 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 71.15 110.904 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.61 -35.75 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 75.24 110.891 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 13.1 t -67.95 -37.48 81.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 64.41 110.894 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.443 HH11 HD22 ' A' ' 383' ' ' LEU . 8.5 ptp180 -75.94 -33.84 59.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.54 110.851 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.675 ' HA ' HD12 ' A' ' 355' ' ' ILE . 1.5 mp -71.21 -47.98 54.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.904 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -55.6 -29.8 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 72.33 110.897 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.0 -41.17 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.859 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 352' ' ' LEU . 23.3 mt -58.54 -41.08 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.122 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -72.02 -46.57 56.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.853 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.01 97.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 63.02 111.083 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -55.05 -52.18 64.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 64.34 110.872 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.462 HG22 HD12 ' A' ' 363' ' ' LEU . 45.5 mt -55.7 -35.38 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 73.32 111.14 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -59.26 -47.27 86.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.877 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -75.52 -30.9 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 61.12 110.9 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 7.9 p -78.1 -3.07 40.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.863 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.462 HD12 HG22 ' A' ' 359' ' ' ILE . 51.9 mt -121.45 26.25 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 63.44 110.892 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 171.14 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 73.13 110.874 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 1.072 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.44 -40.81 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 75.13 111.122 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.421 ' N ' HG23 ' A' ' 365' ' ' ILE . 3.6 p30 -92.43 -32.63 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.831 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -109.02 36.27 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 65.54 110.881 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.439 HD13 ' CD1' ' B' ' 406' ' ' PHE . 18.2 tp -53.52 107.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 61.41 110.933 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -125.37 69.21 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.933 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.677 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.7 m -52.23 -29.05 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.14 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -52.02 -41.41 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.881 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -33.78 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 74.44 110.878 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 35.4 t -53.3 -46.16 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 70.04 110.9 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -66.08 -48.2 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 55.44 111.143 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.8 -35.23 43.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.873 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.426 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.83 -54.1 7.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.24 111.064 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 84.2 mt -52.75 -38.98 61.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 72.3 110.893 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -36.05 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 44.25 110.902 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.26 -47.78 66.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 34.12 110.891 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.713 HD12 HD13 ' B' ' 419' ' ' LEU . 3.1 tm? -56.16 -35.72 67.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 52.31 110.953 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.544 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -70.34 -36.49 74.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 53.33 111.114 179.795 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 7.1 t -71.64 -36.45 70.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.854 -179.767 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.443 HD22 HH11 ' A' ' 351' ' ' ARG . 89.9 mt -63.02 145.7 54.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 63.21 110.864 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -97.59 62.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.896 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.95 136.89 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 44.12 111.096 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -106.68 170.72 7.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 72.12 111.176 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.76 -37.29 59.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.904 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -51.95 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.25 110.94 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -40.14 65.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 70.44 110.949 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.5 75.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.051 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 391' ' ' GLN . . . . . 0.53 ' O ' HG23 ' A' ' 394' ' ' THR . 1.1 mm100 -52.22 -36.7 52.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 75.25 110.924 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -80.04 -36.06 36.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 71.12 110.878 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.504 ' CG ' HD23 ' A' ' 352' ' ' LEU . 80.3 m80 -96.04 35.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 70.14 110.832 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 391' ' ' GLN . 12.6 p -60.59 -34.16 73.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 63.35 111.089 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.17 -45.77 75.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 65.31 110.894 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 58.8 ttp -59.8 -38.96 83.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.877 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.772 ' HA ' HD12 ' A' ' 400' ' ' LEU . 42.6 mt -69.03 -34.78 65.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 64.34 111.108 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 45.8 m -61.97 -40.88 97.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 71.25 111.135 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 84.8 m -64.79 -37.93 89.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 64.32 111.171 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 397' ' ' ILE . 15.5 mt -53.7 -35.23 60.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.917 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -76.58 -28.53 56.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.901 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -75.82 -35.32 60.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 71.01 110.889 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.071 HG22 HD11 ' B' ' 365' ' ' ILE . 36.3 pt -73.11 -2.18 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.118 179.885 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.496 ' NH2' HD11 ' B' ' 440' ' ' LEU . 0.0 OUTLIER -78.25 -34.16 49.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 64.01 110.914 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.43 -20.06 7.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.876 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.594 ' HE1' HG13 ' B' ' 408' ' ' VAL . 0.9 OUTLIER -42.12 117.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.863 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -179.56 136.29 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.926 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.545 HG13 ' HE2' ' B' ' 406' ' ' PHE . 1.4 m -51.63 157.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 43.23 111.102 179.872 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 40.5 t -97.86 155.69 16.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.885 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -51.77 -35.59 44.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.895 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.66 -39.76 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.11 111.134 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.718 HD11 ' HB ' ' B' ' 370' ' ' VAL . 78.8 mt -71.43 -50.34 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.31 111.131 179.895 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 18.3 mtm -60.22 -30.58 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 65.12 110.865 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.38 -53.4 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.896 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -56.95 -39.69 75.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.905 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 90.1 p -55.23 -53.39 56.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.858 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 86.7 m -52.78 -35.7 57.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.09 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -51.43 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.21 110.848 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.737 HD13 HD12 ' B' ' 380' ' ' LEU . 18.7 mt -72.15 -36.02 69.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 71.2 110.897 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -60.12 -44.71 94.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.925 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -72.77 -40.33 66.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.923 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -53.97 -45.66 71.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.906 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.407 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 35.3 m-85 -70.7 -38.56 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 74.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -52.0 -55.38 20.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.898 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -51.93 -35.43 45.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 44.24 110.886 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 27.7 mtm -75.29 -34.45 61.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.21 110.923 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -70.1 -37.09 75.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.905 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 3.0 pp -85.49 -36.27 20.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 74.31 110.974 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 97.3 t 60.01 99.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 70.12 111.143 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 112.63 -156.22 15.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 25.3 112.45 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -49.55 104.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 75.24 110.869 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -141.85 89.65 0.18 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 64.41 112.468 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.8 146.69 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 72.32 110.872 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.3 m -56.36 144.24 31.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.02 110.809 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.412 HG22 HG13 ' A' ' 436' ' ' ILE . 2.6 p -125.23 115.84 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 45.03 111.155 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 436' ' ' ILE . 14.8 mt 49.75 48.46 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 70.31 111.156 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.01 -174.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 73.3 111.159 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 438' ' ' GLN . . . . . 0.597 ' O ' HG13 ' A' ' 439' ' ' VAL . 12.1 tt0 57.55 70.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.924 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 438' ' ' GLN . 0.0 OUTLIER -169.71 159.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 34.11 111.139 179.954 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 7.3 mt -150.72 -64.43 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 61.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -150.14 -169.16 3.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 64.43 110.845 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.18 -68.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.11 110.866 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -54.98 17.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 75.3 110.837 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 11.1 mt -65.64 -34.33 77.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 75.3 110.892 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.09 -34.68 31.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 72.32 111.103 179.778 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.16 -53.71 52.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 72.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -76.83 -48.93 17.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 64.54 110.881 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -51.59 -35.75 42.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 53.15 110.876 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -51.96 -36.02 48.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.879 -179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -57.96 -46.47 85.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 75.51 110.84 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.66 -52.5 8.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.936 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.09 -36.12 49.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.906 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.72 -37.25 50.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.2 111.111 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -51.8 -48.27 63.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 74.14 110.86 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 15.2 tttt 57.64 95.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.91 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.8 t -88.63 175.58 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 60.34 111.148 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -83.63 -78.4 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 72.51 110.839 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.97 64.17 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 75.11 110.892 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -48.17 -67.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 44.03 110.952 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 101.15 -60.44 0.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 70.4 112.493 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 41.6 tttp 63.84 107.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 74.2 110.923 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.94 -42.12 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 65.12 110.895 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 60.1 -179.5 2.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 54.43 112.512 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -172.11 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.635 2.223 . . . . 72.11 112.336 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 62.67 103.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 63.41 110.885 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -114.57 -69.67 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.883 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 3.4 tttm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 65.2 110.89 179.891 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.885 0.374 . . . . 74.43 110.89 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -179.1 159.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.02 110.921 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -169.63 174.53 5.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 50.42 111.114 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -136.14 -71.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.44 111.113 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.07 -174.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 61.04 110.851 -179.827 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 59.93 -179.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 74.35 110.844 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.62 161.25 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 65.14 111.132 -179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 66.4 m -71.41 -59.66 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 65.44 110.849 -179.84 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.2 tpt -53.21 -37.92 62.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 74.02 110.913 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.02 -35.73 66.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.832 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.0 t -68.09 -38.31 82.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 65.45 110.839 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -75.86 -35.04 60.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 64.45 110.848 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.748 ' HA ' HD12 ' B' ' 355' ' ' ILE . 11.9 mt -71.47 -48.15 51.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 63.21 110.904 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -56.52 -30.67 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 64.41 110.915 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.37 -41.28 61.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.42 110.881 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' B' ' 352' ' ' LEU . 14.8 mt -59.5 -41.28 84.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.43 111.129 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -68.93 -44.06 73.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.875 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.51 93.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 75.04 111.089 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -55.19 -50.31 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.898 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.471 HG22 HD12 ' B' ' 363' ' ' LEU . 47.0 mt -57.44 -35.22 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 62.43 111.083 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -59.13 -47.33 85.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 74.3 110.873 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -75.67 -30.8 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.876 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 7.1 p -78.38 -2.56 38.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.895 -179.863 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.471 HD12 HG22 ' B' ' 359' ' ' ILE . 47.9 mt -121.45 25.77 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 45.15 110.967 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 170.29 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.914 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.071 HD11 HG22 ' A' ' 403' ' ' ILE . 6.1 tp -84.63 -39.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.115 179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.404 ' N ' HG23 ' B' ' 365' ' ' ILE . 3.6 p30 -92.74 -32.14 14.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 64.14 110.875 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -110.9 36.67 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.878 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 406' ' ' PHE . 18.3 tp -53.35 107.54 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 73.24 110.93 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -124.66 68.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.12 110.902 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.718 ' HB ' HD11 ' A' ' 412' ' ' ILE . 6.6 m -51.82 -29.51 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 64.02 111.139 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -51.81 -41.56 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.44 110.857 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -33.79 60.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.895 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.8 t -53.16 -46.78 69.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.889 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.57 -47.41 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.33 111.145 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.13 -35.63 48.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 75.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.611 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.66 -53.95 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.15 111.102 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 84.5 mt -52.24 -36.06 51.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.892 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -35.86 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 54.03 110.847 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.98 -50.22 62.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 62.51 110.888 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.737 HD12 HD13 ' A' ' 419' ' ' LEU . 3.1 tm? -54.8 -37.76 66.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 72.31 110.887 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 381' ' ' ALA . . . . . 0.535 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -68.37 -37.96 80.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 71.22 111.113 179.797 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 7.1 t -71.4 -36.66 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 63.33 110.861 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.14 145.35 55.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 71.02 110.937 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -97.16 61.93 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 65.43 110.914 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.67 136.72 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 70.11 111.088 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.3 t -106.82 170.76 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 45.24 111.136 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -37.75 56.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.857 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -52.04 64.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.941 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -40.39 66.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.12 110.958 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.73 74.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 62.03 111.108 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 391' ' ' GLN . . . . . 0.573 ' O ' HG23 ' B' ' 394' ' ' THR . 1.1 mm100 -52.02 -36.47 50.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.928 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -79.91 -36.26 36.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 54.25 110.917 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -95.53 35.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.861 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.573 HG23 ' O ' ' B' ' 391' ' ' GLN . 12.7 p -59.87 -34.43 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 54.13 111.1 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -47.17 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 74.34 110.911 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 58.9 ttp -58.25 -40.39 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.866 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.763 ' HA ' HD12 ' B' ' 400' ' ' LEU . 44.6 mt -67.49 -35.04 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 71.44 111.14 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 45.0 m -61.93 -41.11 97.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 55.43 111.119 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.5 m -64.44 -38.44 91.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 71.54 111.172 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' B' ' 397' ' ' ILE . 16.5 mt -53.19 -35.04 59.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.926 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -76.75 -28.88 55.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 60.31 110.871 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -76.02 -34.87 59.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.14 110.913 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 1.072 HG22 HD11 ' A' ' 365' ' ' ILE . 41.0 pt -73.54 -1.91 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 52.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -33.14 37.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.837 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.5 -20.39 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 65.42 110.883 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.545 ' HE2' HG13 ' A' ' 408' ' ' VAL . 0.6 OUTLIER -42.83 115.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 70.24 110.895 -179.902 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -177.4 132.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 62.2 110.881 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.594 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.4 m -53.58 144.77 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.133 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 39.9 t -84.29 158.68 21.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.859 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -54.54 -37.72 65.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.33 110.903 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 5.6 p -56.38 -40.7 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 73.1 111.173 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.677 HD11 ' HB ' ' A' ' 370' ' ' VAL . 78.3 mt -71.14 -49.45 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 71.34 111.172 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.3 mtm -60.76 -31.19 70.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 75.13 110.897 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.93 -52.62 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 74.42 110.901 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -58.18 -39.5 79.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.32 110.909 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 91.7 p -55.18 -53.05 60.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 61.13 110.859 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.3 m -52.68 -36.56 57.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 52.43 111.153 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -51.41 70.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.95 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.713 HD13 HD12 ' A' ' 380' ' ' LEU . 18.0 mt -71.78 -36.62 70.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 43.52 110.958 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.12 -44.71 94.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.877 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -72.57 -40.67 66.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 72.53 110.849 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -53.85 -45.88 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 71.45 110.945 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.435 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 32.7 m-85 -70.27 -38.32 75.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 54.34 110.87 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -52.29 -54.78 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 71.03 110.859 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 425' ' ' ASN . . . . . 0.401 ' HA ' HD21 ' B' ' 428' ' ' LEU . 8.3 m-20 -52.31 -35.31 50.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.859 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 27.9 mtm -75.26 -34.45 61.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.876 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 427' ' ' PHE . . . . . 0.473 ' HZ ' HG22 ' A' ' 394' ' ' THR . 9.9 m-85 -70.06 -37.08 75.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 71.21 110.858 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' B' ' 425' ' ' ASN . 2.8 pp -85.55 -35.97 20.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 72.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 96.8 t 59.86 98.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.114 179.803 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 75.28 142.73 0.97 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 42.01 112.471 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 49.79 81.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 62.22 110.849 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -147.67 90.96 0.15 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.725 . . . . 64.44 112.498 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.93 131.99 7.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 74.12 110.864 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 3.3 m -62.27 130.54 45.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 63.33 110.849 -179.763 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 16.1 m -117.17 135.21 58.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 65.41 111.097 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 9.8 mt 50.89 46.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 70.25 111.132 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.21 -171.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.13 111.106 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 64.5 156.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 54.42 110.945 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 7.2 t 67.74 151.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.112 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 440' ' ' LEU . . . . . 0.496 HD11 ' NH2' ' A' ' 404' ' ' ARG . 7.7 mt -135.15 -41.21 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.916 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -140.91 -171.23 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 71.33 110.897 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.2 -68.18 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.865 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -55.13 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 55.1 110.859 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.5 -34.22 77.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 73.22 110.92 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.91 -34.48 28.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 72.51 111.12 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.13 -54.1 47.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.9 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -76.7 -48.85 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 75.01 110.9 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -51.66 -35.37 42.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.896 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -51.89 -36.1 47.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.21 110.9 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -57.58 -47.2 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 65.3 110.874 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.63 -52.14 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.917 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -52.14 -37.34 54.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 65.55 110.922 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.7 -36.1 45.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 64.13 111.121 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -53.25 -45.86 68.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.886 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 15.0 tttt 51.76 79.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 72.25 110.888 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 14.5 t -93.87 148.3 22.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 63.12 111.177 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -166.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.2 110.886 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -175.7 -36.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.855 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 66.14 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 60.35 110.93 -179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 91.29 -58.62 3.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 71.53 112.451 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 41.4 tttp 62.64 103.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 72.41 110.908 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.41 -40.81 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.909 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 57.82 -178.76 1.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 65.23 112.517 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -172.6 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.664 2.243 . . . . 74.05 112.33 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 62.93 103.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 71.54 110.894 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -114.7 -69.47 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 72.33 110.907 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 3.3 tttm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 61.23 110.917 179.851 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.867 0.365 . . . . 74.34 110.817 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -50.05 104.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 73.04 110.863 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -119.9 143.47 47.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 50.24 111.114 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -170.39 142.44 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 74.12 111.133 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.81 139.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 73.0 110.908 -179.782 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -167.97 179.78 4.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.908 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.55 165.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 73.11 111.078 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 34.8 m -68.7 -51.07 45.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 60.3 110.821 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.2 tpt -63.32 -36.27 83.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 71.15 110.916 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -73.51 -37.1 65.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.894 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 19.2 m -63.22 -39.44 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 64.41 110.846 -179.756 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.64 HH11 HD22 ' A' ' 383' ' ' LEU . 8.3 ptp180 -76.14 -32.92 59.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.861 -179.907 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.34 -32.95 61.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.886 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -32.86 70.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.934 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -78.75 -37.84 40.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.847 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 36.1 mt -61.03 -37.56 77.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.101 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.43 -49.93 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.873 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.52 91.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 63.02 111.105 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -54.89 -37.96 66.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 64.34 110.866 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 30.5 mt -74.12 -30.28 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.32 111.132 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -52.57 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.873 179.886 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -72.81 -27.13 61.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 61.12 110.884 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.5 p -77.2 -13.19 59.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 73.51 110.873 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.459 HD21 ' SG ' ' A' ' 373' ' ' CYS . 54.2 mt -113.75 25.94 10.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 63.44 110.926 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 169.5 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.924 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 1.038 HD11 HG22 ' B' ' 403' ' ' ILE . 6.1 tp -84.71 -41.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 75.13 111.118 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.449 ' N ' HG23 ' A' ' 365' ' ' ILE . 38.4 t0 -91.18 -32.23 15.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.869 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -109.7 36.18 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 65.54 110.896 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.581 HD13 ' CD2' ' B' ' 406' ' ' PHE . 14.7 tp -55.38 107.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 61.41 110.924 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -125.23 71.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.876 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.65 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.7 m -51.05 -30.38 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 73.32 111.186 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -52.06 -40.29 60.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 71.21 110.887 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -33.52 59.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.854 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.459 ' SG ' HD21 ' A' ' 363' ' ' LEU . 11.0 t -53.26 -55.08 27.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 70.04 110.883 -179.896 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -59.11 -37.01 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 55.44 111.144 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.23 -36.76 78.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.904 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.83 -53.64 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.24 111.126 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.411 HD22 HD12 ' B' ' 419' ' ' LEU . 69.4 mt -52.15 -35.79 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.3 110.908 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.1 -48.86 78.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 44.25 110.919 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -57.55 -49.93 74.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 34.12 110.922 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.679 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.2 tm? -52.59 -36.87 56.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 52.31 110.924 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.459 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -70.38 -35.67 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 53.33 111.083 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.77 -35.63 62.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.873 -179.779 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.64 HD22 HH11 ' A' ' 351' ' ' ARG . 88.1 mt -68.78 119.32 12.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 63.21 110.882 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -79.92 71.51 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.02 110.868 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.4 p -79.89 144.08 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 44.12 111.146 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.3 t -96.44 174.9 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.12 111.136 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -38.09 81.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.889 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -52.19 -59.35 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 70.25 110.882 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.44 -35.43 80.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 70.44 110.864 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.86 92.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 73.34 111.119 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -51.61 -36.08 44.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.886 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -74.05 -33.78 63.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 71.12 110.915 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -95.13 35.59 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 70.14 110.834 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -34.92 63.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.35 111.154 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.06 -44.88 91.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 65.31 110.885 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 49.2 ttp -55.15 -53.23 58.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.92 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.1 mt -56.94 -39.87 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 64.34 111.129 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 85.9 m -54.04 -39.51 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.25 111.158 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 89.1 m -68.55 -40.61 80.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 64.32 111.083 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 397' ' ' ILE . 59.0 mt -51.83 -38.77 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 73.43 110.924 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -28.92 57.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 75.05 110.908 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -74.94 -35.92 62.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 71.01 110.892 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.038 HG22 HD11 ' B' ' 365' ' ' ILE . 36.3 pt -73.11 -1.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.44 111.132 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -78.52 -34.52 47.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.887 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.84 -20.17 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.816 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.572 ' HE1' HG13 ' B' ' 408' ' ' VAL . 0.6 OUTLIER -41.29 115.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 75.04 110.882 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -176.98 138.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.925 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.588 HG13 ' HE1' ' B' ' 406' ' ' PHE . 2.5 m -57.54 143.89 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 43.23 111.135 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 409' ' ' SER . . . . . 0.434 ' H ' HD12 ' A' ' 412' ' ' ILE . 29.4 t -82.79 157.1 23.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.857 -179.833 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -51.78 -40.27 60.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.974 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.2 -41.06 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.11 111.082 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.676 HD11 ' HB ' ' B' ' 370' ' ' VAL . 80.5 mt -68.86 -45.4 80.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 74.31 111.099 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.8 mtm -64.99 -33.84 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 65.12 110.851 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.22 -53.53 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.882 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -56.81 -40.82 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 75.21 110.864 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 416' ' ' SER . . . . . 0.412 ' HB2' HD11 ' B' ' 403' ' ' ILE . 59.3 p -55.64 -49.68 72.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 71.33 110.839 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 31.4 m -53.56 -46.52 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 73.02 111.137 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 24.3 ttp -52.55 -52.07 56.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.906 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' B' ' 381' ' ' ALA . 68.2 mt -66.58 -42.26 87.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.936 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -55.15 -53.82 51.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.95 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -61.76 -36.35 80.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.86 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -54.52 -53.88 48.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.894 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.535 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 23.2 m-85 -75.62 -36.21 60.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -58.75 -43.56 90.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 63.42 110.906 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -61.91 -35.26 77.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 44.24 110.832 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 48.7 mtm -76.32 -35.32 58.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.897 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.429 ' CE2' HD13 ' B' ' 397' ' ' ILE . 18.7 m-85 -72.77 -36.52 67.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 65.35 110.88 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.605 HD13 HD22 ' A' ' 440' ' ' LEU . 4.4 pp -84.91 -35.09 22.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 74.31 110.901 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.514 ' N ' HD12 ' A' ' 428' ' ' LEU . 92.6 t 56.78 91.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 70.12 111.138 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -134.59 150.12 20.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 25.3 112.514 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.23 111.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 75.24 110.85 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 144.83 -164.29 27.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 64.41 112.484 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.42 174.42 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 72.32 110.828 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 1.4 t -63.48 103.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.862 -179.755 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 22.3 m -143.51 179.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 45.03 111.12 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.57 135.89 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 70.31 111.084 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.44 178.98 9.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.3 111.14 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.51 137.83 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.85 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.489 ' H ' ' NH1' ' A' ' 448' ' ' ARG . 18.4 t 64.74 110.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 34.11 111.135 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.605 HD22 HD13 ' A' ' 428' ' ' LEU . 0.7 OUTLIER -178.39 -45.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 61.0 110.899 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.51 170.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 64.43 110.921 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.98 -67.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 73.11 110.885 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -52.73 58.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.874 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -35.46 80.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 75.3 110.955 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.52 -35.23 39.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 72.32 111.15 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.16 -60.71 3.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 72.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -35.45 75.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 64.54 110.892 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.489 ' NH1' ' H ' ' A' ' 439' ' ' VAL . 2.7 ttm180 -51.71 -35.99 45.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 53.15 110.915 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -46.95 64.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.939 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 450' ' ' HIS . . . . . 0.407 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 13.6 t-80 -82.48 -39.39 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.51 110.902 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.19 -56.12 23.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.885 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -36.25 49.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.905 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 450' ' ' HIS . . . -57.8 -36.26 71.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 74.2 111.113 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.96 20.66 18.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.14 110.889 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 455' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 456' ' ' THR . 0.6 OUTLIER -52.15 -73.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.893 179.915 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 455' ' ' LYS . 0.0 OUTLIER -168.68 -73.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 60.34 111.14 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -122.11 -177.14 3.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 72.51 110.893 179.888 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.24 -172.0 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 75.11 110.845 179.853 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -54.23 119.04 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 44.03 110.907 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -52.41 146.79 15.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.675 -0.774 . . . . 70.4 112.512 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.89 178.21 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 74.2 110.846 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.48 124.76 21.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 65.12 110.896 179.832 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -176.47 74.23 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.736 . . . . 54.43 112.51 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -176.14 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.625 2.216 . . . . 72.11 112.353 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 28.5 m120 56.13 52.0 11.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 63.41 110.919 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -37.01 52.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.893 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 65.2 110.904 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.923 0.392 . . . . 74.43 110.878 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 49.94 86.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 74.02 110.888 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -124.35 141.92 51.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 50.42 111.05 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -168.16 143.01 3.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.074 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.08 138.35 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 61.04 110.881 -179.75 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -167.59 179.66 4.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 74.35 110.881 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.88 165.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 65.14 111.199 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 35.5 m -69.08 -51.07 42.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 65.44 110.863 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.0 tpt -62.21 -36.68 82.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 74.02 110.896 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.36 -35.29 65.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.86 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 20.4 m -64.85 -40.1 94.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 65.45 110.871 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 351' ' ' ARG . . . . . 0.408 HH11 HD22 ' B' ' 383' ' ' LEU . 8.6 ptp180 -75.2 -35.48 61.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 64.45 110.877 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.562 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.4 mp -71.49 -47.92 52.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 63.21 110.941 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -29.96 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 64.41 110.891 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -76.78 -43.07 38.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.855 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.6 mt -59.47 -34.77 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.43 111.129 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -71.83 -51.14 23.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.867 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.08 -41.26 99.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.04 111.12 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.59 -36.23 64.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.879 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 34.7 mt -74.37 -34.57 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 62.43 111.104 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -56.81 -51.39 69.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.3 110.887 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.12 -31.34 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.894 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.4 p -75.59 -10.92 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 71.21 110.888 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 48.6 mt -114.78 26.44 10.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 45.15 110.95 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 170.07 11.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.932 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.038 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.54 -42.38 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.33 111.127 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.446 ' N ' HG23 ' B' ' 365' ' ' ILE . 38.4 t0 -90.87 -32.22 16.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 64.14 110.894 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -109.41 36.23 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 65.1 110.877 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 406' ' ' PHE . 14.8 tp -55.67 107.65 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 73.24 110.884 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -125.03 71.29 1.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.878 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.676 ' HB ' HD11 ' A' ' 412' ' ' ILE . 6.6 m -51.29 -30.39 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 64.02 111.074 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -52.03 -40.07 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.851 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -33.78 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 64.21 110.916 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 11.1 t -53.33 -55.66 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 61.02 110.842 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.38 -35.9 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 64.33 111.132 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.84 -36.84 82.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.833 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.502 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.61 -52.46 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 73.15 111.091 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 69.5 mt -52.29 -35.73 51.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.3 110.926 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -63.43 -48.33 78.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 54.03 110.934 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.99 -50.02 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 62.51 110.856 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.626 HD13 ' O ' ' B' ' 380' ' ' LEU . 1.3 tm? -53.28 -39.47 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 72.31 110.903 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 381' ' ' ALA . . . . . 0.459 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -67.54 -33.97 76.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.117 179.813 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -35.91 58.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 63.33 110.858 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.408 HD22 HH11 ' B' ' 351' ' ' ARG . 88.3 mt -68.63 120.09 14.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 71.02 110.888 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -80.96 70.21 7.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 65.43 110.961 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -79.39 143.15 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 70.11 111.157 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.4 t -95.29 174.59 6.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 45.24 111.109 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -38.31 84.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.883 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -51.89 -58.29 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.862 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.36 -35.85 82.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.898 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.03 88.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 62.03 111.109 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -51.86 -35.94 46.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.872 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -72.93 -34.93 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 54.25 110.899 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.14 35.58 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.859 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.416 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.5 OUTLIER -53.8 -35.8 61.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 54.13 111.185 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.68 -43.53 85.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.912 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 42.1 ttp -55.65 -54.6 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.878 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.714 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.9 mt -54.09 -41.65 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 71.44 111.104 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 94.0 m -54.14 -38.59 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 55.43 111.144 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.8 m -69.07 -41.93 76.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.54 111.151 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' B' ' 397' ' ' ILE . 34.8 mt -53.02 -37.62 61.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.92 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -28.76 56.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 60.31 110.912 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -75.53 -35.46 60.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 72.14 110.907 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 1.038 HG22 HD11 ' A' ' 365' ' ' ILE . 36.6 pt -73.15 -1.61 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 52.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -78.46 -34.44 47.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.35 110.884 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.86 -20.09 7.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 65.42 110.846 -179.901 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.588 ' HE1' HG13 ' A' ' 408' ' ' VAL . 0.8 OUTLIER -40.98 115.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 70.24 110.862 -179.897 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -176.65 139.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 62.2 110.924 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.572 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.3 m -58.09 145.76 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 71.22 111.148 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.9 t -85.89 156.27 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 64.22 110.898 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -51.8 -36.06 46.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 73.33 110.903 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.59 -40.6 82.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 73.1 111.115 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.65 HD11 ' HB ' ' A' ' 370' ' ' VAL . 75.9 mt -70.94 -48.39 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 71.34 111.119 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 23.7 mtm -62.36 -31.59 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.886 179.839 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -73.38 -53.22 11.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.863 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -57.99 -40.0 79.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.929 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 81.3 p -55.21 -50.48 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 61.13 110.825 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 30.8 m -53.02 -47.03 68.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 52.43 111.124 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 24.7 ttp -51.87 -51.64 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.816 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 381' ' ' ALA . 80.1 mt -66.75 -44.05 82.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 43.52 110.911 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -52.79 -56.7 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.92 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -58.1 -35.48 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.893 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -55.16 -53.15 59.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 71.45 110.858 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.604 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 89.0 m-85 -75.04 -38.57 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 54.34 110.908 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -57.6 -44.54 85.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 71.03 110.912 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -60.82 -35.96 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 62.42 110.898 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 48.5 mtm -76.88 -35.13 57.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.896 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 427' ' ' PHE . . . . . 0.459 ' CE2' HD13 ' A' ' 397' ' ' ILE . 17.4 m-85 -73.05 -36.23 66.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 71.21 110.885 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.639 HD13 HD22 ' B' ' 440' ' ' LEU . 4.3 pp -85.08 -35.32 21.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 72.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.481 ' N ' HD12 ' B' ' 428' ' ' LEU . 95.4 t 56.72 91.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.105 179.818 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -134.64 150.22 20.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.784 -0.722 . . . . 42.01 112.485 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.19 111.09 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 62.22 110.872 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 144.75 -164.41 27.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 64.44 112.457 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.23 174.59 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 74.12 110.877 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 1.4 t -63.55 103.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 63.33 110.889 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 22.4 m -143.51 179.76 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 65.41 111.133 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.5 135.86 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 70.25 111.125 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.26 178.98 9.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.13 111.136 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.66 137.79 32.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 54.42 110.874 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 439' ' ' VAL . . . . . 0.484 ' H ' ' NH1' ' B' ' 448' ' ' ARG . 18.6 t 64.65 110.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.11 111.103 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 440' ' ' LEU . . . . . 0.639 HD22 HD13 ' B' ' 428' ' ' LEU . 0.7 OUTLIER -178.4 -45.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.896 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.39 170.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.898 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -68.04 0.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.934 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -52.9 58.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 55.1 110.846 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -35.51 80.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.22 110.932 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.46 -35.37 39.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 72.51 111.113 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.09 -60.53 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.9 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -35.49 75.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.852 -179.861 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 448' ' ' ARG . . . . . 0.484 ' NH1' ' H ' ' B' ' 439' ' ' VAL . 2.8 ttm180 -51.81 -36.01 46.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 73.21 110.874 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -46.96 64.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 73.21 110.913 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 450' ' ' HIS . . . . . 0.417 ' O ' ' HB3' ' B' ' 453' ' ' ALA . 13.7 t-80 -82.65 -39.01 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 65.3 110.848 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -55.56 -56.03 25.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 75.43 110.878 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -36.06 49.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 65.55 110.922 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 453' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' B' ' 450' ' ' HIS . . . -57.93 -36.23 72.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 64.13 111.074 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.98 20.58 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 73.42 110.881 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 455' ' ' LYS . . . . . 0.421 ' O ' HG23 ' B' ' 456' ' ' THR . 0.6 OUTLIER -52.17 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 72.25 110.901 179.952 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 456' ' ' THR . . . . . 0.421 HG23 ' O ' ' B' ' 455' ' ' LYS . 0.0 OUTLIER -168.64 -73.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 63.12 111.104 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -122.12 -177.11 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 73.2 110.912 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.15 -171.96 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 72.44 110.854 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -54.34 118.79 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 60.35 110.925 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -52.29 146.61 14.98 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 71.53 112.507 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.76 178.34 1.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 72.41 110.9 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 124.6 21.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.885 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -176.36 74.21 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 65.23 112.445 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -176.14 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 74.05 112.359 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 28.5 m120 56.14 51.84 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.54 110.895 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -36.97 53.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.33 110.908 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 61.23 110.906 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.875 0.369 . . . . 74.34 110.894 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -159.77 -173.01 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 73.04 110.86 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -144.79 -175.06 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 50.24 111.124 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -143.39 126.58 16.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 74.12 111.09 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.46 140.64 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 73.0 110.831 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -147.71 -73.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 71.32 110.865 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.73 136.35 56.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 73.11 111.103 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -52.85 25.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 60.3 110.845 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -36.95 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 71.15 110.83 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.49 -38.27 65.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 75.24 110.842 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.3 m -60.78 -42.09 96.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.88 -179.747 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -74.88 -32.92 61.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.887 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 355' ' ' ILE . 2.5 mp -73.32 -32.31 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.88 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -69.5 -35.4 75.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.922 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -77.91 -37.38 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.881 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 352' ' ' LEU . 27.7 mt -57.48 -41.08 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 73.14 111.147 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -72.44 -49.89 30.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.865 179.865 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.15 85.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 63.02 111.064 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -54.72 -39.38 68.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 64.34 110.86 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.473 HG23 ' SG ' ' A' ' 373' ' ' CYS . 37.1 mt -69.42 -33.06 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 73.32 111.086 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -62.9 -52.31 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.35 110.876 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -68.35 -28.5 67.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 61.12 110.942 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 24.3 p -77.43 -29.17 52.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 73.51 110.871 -179.856 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 40.8 mt -94.57 26.78 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 63.44 110.881 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 170.21 9.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.13 110.894 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 0.928 HD11 HG22 ' B' ' 403' ' ' ILE . 5.3 tp -84.81 -40.33 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 75.13 111.142 179.811 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.406 ' N ' HG23 ' A' ' 365' ' ' ILE . 3.6 p30 -89.82 -33.92 16.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 72.25 110.891 179.835 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -106.19 36.34 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 65.54 110.908 -179.892 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.486 HD13 ' CD2' ' B' ' 406' ' ' PHE . 15.6 tp -56.18 107.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 61.41 110.867 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -134.48 77.85 1.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.15 110.898 179.82 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.633 ' HB ' HD11 ' B' ' 412' ' ' ILE . 13.9 m -51.35 -29.32 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.32 111.132 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -51.87 -38.64 56.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.916 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.06 -35.2 59.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.859 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.473 ' SG ' HG23 ' A' ' 359' ' ' ILE . 5.5 t -53.74 -59.53 4.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 70.04 110.924 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 374' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 370' ' ' VAL . 3.1 mt -53.5 -44.3 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 55.44 111.127 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.75 -37.24 50.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.888 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.19 -54.2 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.24 111.078 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.535 HD22 HD12 ' B' ' 419' ' ' LEU . 88.4 mt -52.44 -37.15 56.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.895 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -44.58 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 44.25 110.84 179.891 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.67 -44.13 94.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 34.12 110.898 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.684 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.6 tm? -60.82 -35.26 76.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 52.31 110.941 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.458 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -69.84 -37.93 76.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 53.33 111.107 179.776 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.0 t -67.9 -34.91 77.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.84 -179.757 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.25 150.12 49.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 63.21 110.921 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -109.75 54.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.966 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 4.6 p -66.83 140.89 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 44.12 111.112 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 386' ' ' THR . . . . . 0.415 HG23 ' HB2' ' A' ' 388' ' ' GLN . 14.3 t -102.98 171.3 7.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 72.12 111.142 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 4.1 ttt -55.03 -35.49 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.887 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 388' ' ' GLN . . . . . 0.415 ' HB2' HG23 ' A' ' 386' ' ' THR . 1.4 mt-30 -53.69 -56.77 14.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 70.25 110.908 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -74.06 -35.97 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 70.44 110.923 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.21 88.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.112 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 391' ' ' GLN . . . . . 0.556 ' O ' HG23 ' A' ' 394' ' ' THR . 3.1 mt-30 -51.51 -42.65 61.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.887 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -66.3 -34.51 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 71.12 110.932 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -95.11 35.72 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 70.14 110.87 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.629 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.7 OUTLIER -52.19 -35.14 48.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 63.35 111.158 -179.926 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -46.52 88.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 65.31 110.908 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -55.2 -37.75 67.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.869 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.816 ' HA ' HD12 ' A' ' 400' ' ' LEU . 4.2 mt -70.12 -42.27 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 64.34 111.111 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 87.4 m -55.92 -46.6 78.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 71.25 111.119 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 25.9 m -57.67 -43.7 85.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 64.32 111.136 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 397' ' ' ILE . 19.8 mt -52.13 -37.07 53.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.896 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -28.79 57.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.908 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -75.5 -35.1 60.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 71.01 110.903 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 0.916 HG22 HD11 ' B' ' 365' ' ' ILE . 36.1 pt -73.76 -1.36 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 75.44 111.12 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -34.74 41.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 64.01 110.911 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.06 -14.99 8.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.88 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.513 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -43.39 121.38 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.869 -179.927 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -177.52 142.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.876 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.0 p -70.55 135.8 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 43.23 111.157 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -72.8 173.7 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.846 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -73.15 -32.99 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 74.23 110.951 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.93 -42.56 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 73.11 111.13 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.663 HD11 ' HB ' ' B' ' 370' ' ' VAL . 22.6 mt -74.0 -49.95 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.11 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 31.2 mtm -55.25 -33.99 63.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 65.12 110.888 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.74 -52.85 13.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.88 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -59.44 -40.41 86.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.886 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.2 p -54.97 -47.39 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.826 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 58.3 m -57.22 -45.66 83.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 73.02 111.189 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 30.1 ttp -53.54 -44.7 69.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 71.21 110.907 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.685 HD13 HD12 ' B' ' 380' ' ' LEU . 50.3 mt -73.53 -43.37 60.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.904 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.416 ' OH ' HD13 ' A' ' 444' ' ' LEU . 45.3 t80 -55.07 -55.12 34.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.953 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -58.83 -35.85 73.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 73.14 110.879 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -55.22 -52.04 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.909 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -74.28 -36.74 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 424' ' ' LYS . . . . . 0.468 ' HG2' HD23 ' A' ' 428' ' ' LEU . 37.4 tttm -56.14 -54.16 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 63.42 110.897 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -53.5 -34.52 58.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 44.24 110.873 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 426' ' ' MET . . . . . 0.54 ' O ' HG23 ' A' ' 429' ' ' VAL . 33.8 mtm -78.27 -29.46 47.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.896 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -77.28 -35.85 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 65.35 110.846 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.468 HD23 ' HG2' ' A' ' 424' ' ' LYS . 3.8 pp -87.95 -41.97 12.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.94 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 426' ' ' MET . 73.4 t 51.62 89.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 70.12 111.101 179.832 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -168.56 -165.48 26.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 25.3 112.45 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -146.12 -178.99 6.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.936 0.398 . . . . 75.24 110.883 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 90.6 -73.45 1.83 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.791 -0.718 . . . . 64.41 112.477 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 38.3 t0 61.88 63.29 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.332 . . . . 72.32 110.868 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 4.2 p -134.5 35.84 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 75.02 110.828 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 17.1 t 65.2 151.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 45.03 111.104 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -150.22 -179.46 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 70.31 111.113 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.96 34.06 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 73.3 111.13 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -179.82 133.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 73.44 110.915 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 440' ' ' LEU . 5.4 t 63.08 158.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 34.11 111.105 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.41 ' N ' HG12 ' A' ' 439' ' ' VAL . 0.2 OUTLIER 67.69 162.12 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 61.0 110.95 179.936 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 61.39 74.24 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 64.43 110.926 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -115.98 -43.54 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.918 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 70.9 m -65.81 -51.41 59.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 75.3 110.889 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 444' ' ' LEU . . . . . 0.439 HD11 ' HG3' ' A' ' 424' ' ' LYS . 81.6 mt -70.38 -36.23 73.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 75.3 110.923 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.8 -36.19 46.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.147 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.96 -36.03 74.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -76.14 -59.73 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 64.54 110.896 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -51.92 -35.95 47.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 53.15 110.865 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 449' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 453' ' ' ALA . 0.7 OUTLIER -52.04 -47.94 64.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.904 -179.9 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -82.46 -43.71 16.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 75.51 110.89 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -52.36 -59.17 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 75.33 110.892 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.67 -36.17 82.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 75.21 110.857 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 449' ' ' GLN . . . -57.6 -41.05 80.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 74.2 111.098 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -72.01 -45.72 59.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.14 110.881 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -133.17 132.68 41.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.858 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 22.7 m -133.34 71.81 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 60.34 111.128 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -85.03 -172.47 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 72.51 110.885 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.63 172.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.893 179.856 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -58.45 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 44.03 110.92 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 109.02 -34.09 5.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 70.4 112.516 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -58.91 163.37 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 74.2 110.877 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -120.15 -39.11 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 65.12 110.909 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -113.51 74.79 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 54.43 112.453 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -178.9 2.57 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.635 2.223 . . . . 72.11 112.362 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.24 169.8 16.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 63.41 110.888 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -143.9 106.94 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.923 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 65.2 110.865 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.932 0.396 . . . . 74.43 110.826 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -159.73 -172.94 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 74.02 110.885 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -145.0 -174.91 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 50.42 111.081 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -143.58 126.85 16.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 75.44 111.09 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.51 141.11 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 61.04 110.872 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -147.9 -73.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 74.35 110.895 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.3 138.66 54.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 65.14 111.143 -179.899 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.26 -54.39 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 65.44 110.894 -179.868 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 348' ' ' MET . . . . . 0.414 ' O ' HD12 ' B' ' 352' ' ' LEU . 0.4 OUTLIER -55.49 -37.51 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 74.02 110.896 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.03 -36.37 66.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.903 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -64.23 -40.91 97.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 65.45 110.83 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 351' ' ' ARG . . . . . 0.401 ' HE ' HD21 ' B' ' 383' ' ' LEU . 6.5 ptm85 -75.9 -35.34 59.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 64.45 110.873 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.727 ' HA ' HD12 ' B' ' 355' ' ' ILE . 7.8 mt -70.4 -47.81 59.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 63.21 110.945 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -55.84 -31.1 62.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 64.41 110.902 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -76.84 -42.99 38.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.42 110.846 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.2 mt -55.89 -37.09 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.43 111.074 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -71.78 -51.07 24.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.872 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.48 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.117 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -55.08 -40.41 70.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.879 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.446 HG23 ' SG ' ' B' ' 373' ' ' CYS . 34.7 mt -68.45 -33.26 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 62.43 111.148 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -62.23 -52.16 64.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.913 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -68.89 -28.04 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 75.2 110.934 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 22.9 p -77.44 -29.34 52.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.836 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.2 mt -94.78 26.66 3.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 45.15 110.932 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 170.39 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.41 110.942 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 0.916 HD11 HG22 ' A' ' 403' ' ' ILE . 5.4 tp -84.83 -40.16 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 74.33 111.162 179.866 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.405 ' N ' HG23 ' B' ' 365' ' ' ILE . 3.6 p30 -90.14 -33.8 16.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 64.14 110.869 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -106.24 36.53 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 65.1 110.897 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 406' ' ' PHE . 15.4 tp -56.36 107.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.895 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -134.35 77.82 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.888 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.663 ' HB ' HD11 ' A' ' 412' ' ' ILE . 13.8 m -51.52 -29.21 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 64.02 111.117 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -51.91 -38.64 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.891 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.06 -35.42 59.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 64.21 110.881 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' B' ' 359' ' ' ILE . 5.5 t -53.65 -59.37 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 61.02 110.88 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.415 HD12 ' O ' ' B' ' 370' ' ' VAL . 3.1 mt -53.42 -44.45 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 64.33 111.137 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.67 -37.19 49.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -77.01 -54.0 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 73.15 111.13 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 377' ' ' LEU . . . . . 0.526 HD22 HD12 ' A' ' 419' ' ' LEU . 89.8 mt -52.15 -35.54 48.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 72.3 110.922 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -42.46 99.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 54.03 110.883 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.61 -50.18 70.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 62.51 110.906 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.685 HD12 HD13 ' A' ' 419' ' ' LEU . 3.2 tm? -56.75 -35.26 68.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 72.31 110.952 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 381' ' ' ALA . . . . . 0.469 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -69.21 -40.78 77.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 71.22 111.106 179.812 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.0 t -66.9 -35.24 79.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 63.33 110.808 -179.754 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.401 HD21 ' HE ' ' B' ' 351' ' ' ARG . 90.0 mt -67.06 148.56 51.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 71.02 110.944 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -107.66 55.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 65.43 110.881 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 4.9 p -66.89 140.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 70.11 111.126 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.2 t -102.22 171.83 7.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 45.24 111.118 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.1 ttt -56.84 -35.57 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.862 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -53.53 -56.53 16.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.934 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -74.0 -35.94 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.905 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.22 88.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 62.03 111.111 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 391' ' ' GLN . . . . . 0.537 ' O ' HG23 ' B' ' 394' ' ' THR . 3.1 mt-30 -51.46 -41.86 61.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 71.43 110.862 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -66.75 -35.34 79.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 54.25 110.864 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -95.36 35.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 74.34 110.833 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.627 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.7 OUTLIER -52.24 -35.17 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 54.13 111.118 -179.917 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -45.64 93.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.869 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -55.63 -38.53 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.849 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' B' ' 400' ' ' LEU . 4.1 mt -70.03 -39.94 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 71.44 111.111 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 89.0 m -57.22 -45.09 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 55.43 111.123 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 31.9 m -60.6 -41.89 95.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 71.54 111.142 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' B' ' 397' ' ' ILE . 44.5 mt -51.52 -38.65 55.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 75.11 110.934 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.15 -28.89 57.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 60.31 110.91 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -74.54 -35.47 63.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.903 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.928 HG22 HD11 ' A' ' 365' ' ' ILE . 33.9 pt -74.08 -1.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 52.0 111.181 179.837 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -34.56 39.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 71.35 110.872 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -14.95 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 65.42 110.844 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.525 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -43.41 121.2 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 70.24 110.884 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -177.4 142.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 62.2 110.907 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.79 135.61 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 71.22 111.057 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -72.57 173.57 8.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 64.22 110.844 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -73.1 -33.02 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.911 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -53.0 -42.46 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.1 111.144 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.633 HD11 ' HB ' ' A' ' 370' ' ' VAL . 21.9 mt -74.04 -50.09 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 71.34 111.136 179.907 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 31.2 mtm -55.2 -33.72 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.911 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.93 -53.05 12.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.893 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -59.42 -39.84 84.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 74.32 110.893 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.7 p -54.95 -48.71 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 61.13 110.855 -179.851 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 57.9 m -56.11 -45.22 79.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 52.43 111.175 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 30.5 ttp -53.67 -44.71 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.822 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.535 HD12 HD22 ' A' ' 377' ' ' LEU . 59.6 mt -73.98 -41.58 61.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 43.52 110.934 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -58.11 -51.68 68.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.967 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -62.79 -39.56 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 72.53 110.92 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -53.29 -51.26 62.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 71.45 110.896 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.536 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 22.3 m-85 -75.38 -35.42 61.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 54.34 110.882 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 424' ' ' LYS . . . . . 0.495 ' HG3' HD11 ' B' ' 444' ' ' LEU . 38.5 tttm -58.07 -51.42 69.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 71.03 110.876 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -53.19 -33.75 54.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 62.42 110.869 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.8 mtm -76.83 -34.68 57.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.876 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -72.23 -36.9 69.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.901 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.526 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.6 pp -85.96 -33.98 20.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 72.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.526 ' N ' HD12 ' B' ' 428' ' ' LEU . 2.5 p 39.85 82.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.109 179.82 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 430' ' ' GLY . . . . . 0.423 ' N ' HD12 ' B' ' 428' ' ' LEU . . . -160.99 -161.48 11.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 42.01 112.486 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -148.98 -178.16 6.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 62.22 110.912 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 92.66 -75.23 1.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 64.44 112.532 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 37.8 t0 63.35 59.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 74.12 110.83 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 3.9 p -137.13 36.74 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 63.33 110.856 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 17.5 t 65.21 151.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 65.41 111.105 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -152.11 178.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 70.25 111.143 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.56 44.7 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 73.13 111.119 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.56 -172.15 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 54.42 110.928 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 33.7 t -49.75 106.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.126 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.5 150.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.874 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 441' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' B' ' 445' ' ' ALA . 8.7 m-80 51.75 74.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 71.33 110.893 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -96.22 -36.15 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.899 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 69.7 m -61.25 -52.53 64.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 55.1 110.854 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 444' ' ' LEU . . . . . 0.495 HD11 ' HG3' ' B' ' 424' ' ' LYS . 82.3 mt -71.54 -36.22 70.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.912 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 445' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' B' ' 441' ' ' ASN . . . -51.67 -35.96 44.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 72.51 111.132 179.775 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.17 -36.02 74.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 74.42 110.922 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -76.07 -59.77 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 75.01 110.917 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -51.94 -35.8 47.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.9 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 449' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' B' ' 453' ' ' ALA . 0.7 OUTLIER -52.06 -47.84 64.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.88 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -82.58 -43.97 16.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 65.3 110.907 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -52.07 -59.3 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.854 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -63.69 -36.13 82.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 65.55 110.872 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 453' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' B' ' 449' ' ' GLN . . . -57.47 -41.01 79.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 64.13 111.101 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -72.26 -45.52 59.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 73.42 110.89 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -133.13 132.59 41.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 72.25 110.9 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 22.3 m -133.3 71.79 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 63.12 111.15 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -85.03 -172.45 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.2 110.932 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.81 172.14 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 72.44 110.877 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.36 -58.8 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 60.35 110.915 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 109.38 -33.96 5.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 71.53 112.457 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -58.86 163.2 3.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 72.41 110.933 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -119.87 -39.18 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 72.34 110.901 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -113.62 74.9 0.23 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 65.23 112.493 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -178.64 2.44 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 74.05 112.311 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.33 169.85 16.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 71.54 110.883 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -143.96 106.64 4.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.905 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 61.23 110.95 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 CA--C 1.526 0.038 0 CA-C-O 120.894 0.378 . . . . 74.34 110.838 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -120.56 171.18 8.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 73.04 110.901 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -156.48 61.92 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 50.24 111.114 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -176.16 -173.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 74.12 111.085 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 25.3 p -55.78 103.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.28 -170.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.32 110.893 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 1.2 m -51.82 -35.47 44.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.11 111.109 -179.862 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.02 -36.36 49.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 60.3 110.853 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.8 tpt -53.62 -36.87 62.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 71.15 110.847 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.67 -36.32 65.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 75.24 110.859 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -36.71 81.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 64.41 110.825 -179.744 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.471 ' HD2' HD13 ' A' ' 383' ' ' LEU . 11.2 ptp180 -77.4 -33.3 55.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.866 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 352' ' ' LEU . 20.4 mt -74.71 -40.74 61.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.52 110.882 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -63.2 -35.38 80.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.33 110.93 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -77.28 -35.3 55.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.873 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 24.1 mt -61.39 -44.25 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.14 111.128 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -72.22 -45.23 61.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.83 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.76 99.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 63.02 111.094 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -54.99 -42.33 72.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.907 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.512 HG22 HD12 ' A' ' 363' ' ' LEU . 41.2 mt -66.98 -34.31 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.121 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -58.46 -51.88 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 71.35 110.891 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -71.73 -33.58 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 61.12 110.89 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.4 p -74.05 -7.55 52.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.51 110.881 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.512 HD12 HG22 ' A' ' 359' ' ' ILE . 36.4 mt -115.08 26.34 10.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 63.44 110.926 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 170.58 10.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.934 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 0.978 HD11 HG22 ' B' ' 403' ' ' ILE . 5.7 tp -84.33 -37.81 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 75.13 111.117 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -92.99 -31.86 14.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.882 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -108.85 36.36 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 65.54 110.899 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' B' ' 406' ' ' PHE . 19.9 tp -53.34 107.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 61.41 110.947 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.41 81.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.868 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.586 ' HB ' HD11 ' B' ' 412' ' ' ILE . 12.5 m -60.69 -27.2 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.16 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -51.85 -39.58 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.888 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -75.89 -35.28 59.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.882 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.416 ' SG ' HG23 ' A' ' 359' ' ' ILE . 38.2 t -54.98 -54.52 41.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 70.04 110.861 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 374' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 370' ' ' VAL . 3.3 mt -55.16 -51.34 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 55.44 111.156 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.56 -34.08 35.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.901 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.78 -53.92 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 74.24 111.108 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.422 HD11 HG23 ' B' ' 412' ' ' ILE . 11.9 mt -52.09 -42.87 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.919 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.64 -49.08 76.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 44.25 110.886 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -46.53 79.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 34.12 110.88 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.597 HD21 ' HE3' ' A' ' 396' ' ' MET . 1.1 tm? -52.35 -54.43 31.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 52.31 110.953 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.44 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -56.2 -34.6 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 53.33 111.069 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 8.6 t -70.16 -36.36 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.33 110.847 -179.781 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.471 HD13 ' HD2' ' A' ' 351' ' ' ARG . 59.5 mt -72.27 149.19 44.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 63.21 110.921 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -104.74 71.15 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.925 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 385' ' ' VAL . . . . . 0.535 HG13 ' HB3' ' A' ' 389' ' ' GLN . 22.0 t -67.05 127.61 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 44.12 111.135 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 386' ' ' THR . . . . . 0.478 HG22 ' CD ' ' A' ' 389' ' ' GLN . 14.6 t -90.18 173.76 7.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.149 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -47.01 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.857 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.31 -41.1 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 70.25 110.874 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 389' ' ' GLN . . . . . 0.535 ' HB3' HG13 ' A' ' 385' ' ' VAL . 0.9 OUTLIER -73.45 -35.58 65.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 70.44 110.936 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -67.53 -47.98 68.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.136 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -36.16 44.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.883 -179.908 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -83.43 -34.82 25.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 71.12 110.856 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -95.17 35.63 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 70.14 110.808 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.688 ' HA ' HD12 ' A' ' 397' ' ' ILE . 1.4 p -63.27 -34.99 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 63.35 111.177 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.02 -44.84 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 65.31 110.896 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.597 ' HE3' HD21 ' A' ' 380' ' ' LEU . 45.2 ttp -55.36 -39.36 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.837 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.779 ' HA ' HD12 ' A' ' 400' ' ' LEU . 4.2 mt -70.04 -43.17 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 64.34 111.113 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 5.9 m -54.2 -34.21 60.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 71.25 111.18 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 94.7 m -74.54 -34.34 62.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 64.32 111.129 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 397' ' ' ILE . 30.2 mt -59.16 -35.85 74.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.928 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -76.11 -28.5 57.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.857 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -75.56 -35.6 60.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 71.01 110.876 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.011 HG22 HD11 ' B' ' 365' ' ' ILE . 35.2 pt -73.54 -1.72 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 75.44 111.11 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -33.73 43.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.862 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -20.03 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 75.44 110.907 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.475 ' CD2' HD13 ' B' ' 368' ' ' LEU . 0.3 OUTLIER -39.95 119.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 75.04 110.886 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -174.33 135.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.903 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 10.2 p -61.58 128.86 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 43.23 111.16 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 25.2 t -64.8 171.65 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.825 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -34.11 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.905 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 411' ' ' VAL . . . . . 0.415 HG13 HG13 ' A' ' 412' ' ' ILE . 5.1 p -53.31 -41.35 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.121 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.616 HD11 ' HB ' ' B' ' 370' ' ' VAL . 93.1 mt -73.62 -47.73 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.31 111.147 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 14.8 mtm -57.89 -33.95 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 65.12 110.898 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.67 -45.43 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.917 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -65.87 -35.45 80.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.869 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.5 p -58.06 -50.27 74.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.875 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 37.1 m -53.67 -44.94 70.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 73.02 111.163 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -50.55 -48.94 57.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 71.21 110.874 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' B' ' 381' ' ' ALA . 54.6 mt -74.38 -35.94 63.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 71.2 110.935 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -59.44 -57.02 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.948 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.17 -34.95 79.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.514 . . . . 73.14 110.889 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -57.44 -52.22 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.899 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.408 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 36.7 m-85 -65.76 -35.94 82.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 74.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -53.96 35.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 63.42 110.889 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -56.05 -33.11 64.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 44.24 110.854 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 426' ' ' MET . . . . . 0.454 ' O ' HG23 ' A' ' 429' ' ' VAL . 7.1 mtm -75.91 -26.9 57.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.861 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.705 ' CE2' HD13 ' B' ' 397' ' ' ILE . 11.9 m-85 -79.93 -35.98 36.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 65.35 110.875 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 429' ' ' VAL . 2.5 pp -86.44 -46.88 9.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.896 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.47 ' N ' HD12 ' A' ' 428' ' ' LEU . 84.8 t 51.29 81.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 70.12 111.174 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 93.22 -32.44 5.69 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.741 -0.742 . . . . 25.3 112.486 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 63.99 -171.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.369 . . . . 75.24 110.913 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -52.22 111.57 1.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 64.41 112.542 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -109.45 53.8 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 72.32 110.895 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.83 122.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.02 110.871 -179.773 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 437' ' ' THR . 12.4 t 64.97 112.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 45.03 111.138 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 75.3 mt -50.67 118.06 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 70.31 111.127 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 435' ' ' VAL . 24.9 p -123.26 -33.81 3.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 73.3 111.144 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.85 88.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.938 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 19.4 m -148.21 137.52 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 34.11 111.153 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.14 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -148.48 -171.49 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 64.43 110.893 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -116.09 -68.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.905 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 4.2 m -62.29 -52.93 61.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.841 -179.869 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 5.4 mt -64.1 -34.91 79.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.863 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.32 -35.54 38.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 72.32 111.068 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.33 -60.52 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.93 -35.86 77.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 64.54 110.875 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 5.2 tmt_? -57.06 -63.83 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 53.15 110.858 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -38.86 67.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.905 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -53.46 -59.75 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.85 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.69 -35.88 79.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.904 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -35.93 44.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.929 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -53.62 -47.78 69.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 74.2 111.083 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -74.92 -35.64 62.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.883 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 25.8 tttt 71.03 -69.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 73.14 110.921 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 96.0 m 65.39 -78.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 60.34 111.147 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 148.08 14.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 72.51 110.886 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -159.08 38.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 75.11 110.879 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.78 -177.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 44.03 110.919 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -128.99 -96.05 0.81 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 70.4 112.486 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.94 143.04 20.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 74.2 110.917 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -155.98 78.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 65.12 110.892 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -100.51 -166.12 28.52 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.792 -0.718 . . . . 54.43 112.519 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -171.39 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.279 . . . . 72.11 112.336 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -70.27 -74.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.905 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 157.65 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.883 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 6.0 mttm . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 65.2 110.887 179.884 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.885 0.374 . . . . 74.43 110.865 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -120.55 171.15 8.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 74.02 110.889 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -156.51 61.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 50.42 111.087 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -176.09 -173.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.078 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 24.9 p -55.68 104.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 61.04 110.864 -179.811 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.28 -171.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.885 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 1.2 m -52.08 -35.5 47.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 65.14 111.164 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.32 -36.4 53.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 65.44 110.876 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.5 tpt -53.07 -37.87 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 74.02 110.869 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 -35.09 67.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.911 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.92 -39.47 83.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 65.45 110.86 -179.761 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 351' ' ' ARG . . . . . 0.419 ' HD2' HD13 ' B' ' 383' ' ' LEU . 0.2 OUTLIER -74.8 -34.81 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 64.45 110.917 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.621 ' HA ' HD12 ' B' ' 355' ' ' ILE . 24.9 mt -71.48 -47.68 53.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.909 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -57.89 -30.17 65.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 64.41 110.896 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -76.79 -41.5 44.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 71.42 110.875 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.1 mt -59.2 -41.47 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 75.43 111.147 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -71.95 -50.73 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.843 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.46 88.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.04 111.119 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -55.06 -42.37 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.87 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.5 HG22 HD12 ' B' ' 363' ' ' LEU . 37.2 mt -66.43 -34.59 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 62.43 111.136 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -58.41 -51.79 68.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.3 110.909 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -71.69 -33.75 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 75.2 110.893 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 6.6 p -73.91 -7.72 53.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.886 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.5 HD12 HG22 ' B' ' 359' ' ' ILE . 37.3 mt -115.09 26.4 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 45.15 110.888 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 170.47 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.41 110.901 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.011 HD11 HG22 ' A' ' 403' ' ' ILE . 5.8 tp -84.41 -37.7 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.33 111.115 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -92.86 -31.7 14.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 64.14 110.865 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -109.3 36.57 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 65.1 110.906 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' A' ' 406' ' ' PHE . 19.8 tp -53.42 107.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 73.24 110.943 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.38 81.16 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.898 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.616 ' HB ' HD11 ' A' ' 412' ' ' ILE . 12.2 m -60.65 -27.29 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 64.02 111.112 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -51.83 -39.56 59.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.881 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -75.92 -35.55 59.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 64.21 110.898 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.425 ' SG ' HG23 ' B' ' 359' ' ' ILE . 34.7 t -54.42 -54.62 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 61.02 110.905 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 374' ' ' ILE . . . . . 0.421 HD12 ' O ' ' B' ' 370' ' ' VAL . 3.3 mt -55.26 -50.04 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 64.33 111.152 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.81 -35.36 43.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 75.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.468 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.45 -52.96 9.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 73.15 111.077 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 377' ' ' LEU . . . . . 0.433 HD11 HG23 ' A' ' 412' ' ' ILE . 11.9 mt -52.17 -41.37 62.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 72.3 110.975 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.61 -47.82 83.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 54.03 110.882 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -47.27 79.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 62.51 110.893 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' B' ' 380' ' ' LEU . 0.8 OUTLIER -52.4 -54.54 30.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.964 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 381' ' ' ALA . . . . . 0.426 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -55.89 -34.28 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 71.22 111.077 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 8.6 t -71.41 -36.32 71.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 63.33 110.829 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.419 HD13 ' HD2' ' B' ' 351' ' ' ARG . 61.9 mt -72.94 148.65 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 71.02 110.905 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -104.13 71.1 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 65.43 110.921 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 385' ' ' VAL . . . . . 0.516 HG13 ' HB3' ' B' ' 389' ' ' GLN . 21.9 t -66.96 127.24 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 70.11 111.103 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 386' ' ' THR . . . . . 0.443 HG22 ' CD ' ' B' ' 389' ' ' GLN . 14.6 t -89.88 173.69 8.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 45.24 111.117 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -46.5 81.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.865 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -56.2 -41.72 76.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.946 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 389' ' ' GLN . . . . . 0.516 ' HB3' HG13 ' B' ' 385' ' ' VAL . 0.9 OUTLIER -73.19 -35.98 66.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.904 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.09 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 62.03 111.122 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -35.9 48.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.868 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -82.87 -35.29 26.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 54.25 110.904 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -95.17 35.58 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.89 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.684 ' HA ' HD12 ' B' ' 397' ' ' ILE . 1.4 p -62.79 -35.24 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 54.13 111.104 -179.884 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.77 -44.58 81.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.888 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 396' ' ' MET . . . . . 0.427 ' HB3' ' HE2' ' B' ' 396' ' ' MET . 43.6 ttp -55.34 -40.63 71.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.918 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.776 ' HA ' HD12 ' B' ' 400' ' ' LEU . 4.0 mt -68.58 -42.7 83.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 71.44 111.121 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 6.0 m -54.13 -35.6 62.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 55.43 111.126 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 97.0 m -73.68 -35.68 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 71.54 111.14 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' B' ' 397' ' ' ILE . 26.6 mt -57.8 -35.85 71.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.927 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -76.3 -28.62 57.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 60.31 110.911 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -75.44 -35.49 60.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.896 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 0.978 HG22 HD11 ' A' ' 365' ' ' ILE . 36.2 pt -73.36 -1.77 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 52.0 111.159 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -33.98 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 71.35 110.87 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.12 -19.95 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 65.42 110.902 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.493 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.05 118.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.845 -179.937 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -174.17 135.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 62.2 110.876 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.6 129.1 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 71.22 111.122 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 25.2 t -65.19 171.28 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 64.22 110.876 -179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.93 -34.24 66.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.917 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 411' ' ' VAL . . . . . 0.407 HG13 HG13 ' B' ' 412' ' ' ILE . 5.1 p -53.19 -41.35 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.1 111.105 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.586 HD11 ' HB ' ' A' ' 370' ' ' VAL . 93.1 mt -73.56 -48.28 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 71.34 111.134 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 14.1 mtm -57.19 -34.28 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 75.13 110.842 179.886 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.91 -46.76 42.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 74.42 110.889 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -64.61 -37.98 89.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.926 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.9 p -55.89 -48.63 75.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 61.13 110.875 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 417' ' ' THR . . . . . 0.487 HG22 ' ND2' ' B' ' 421' ' ' ASN . 92.4 m -54.75 -47.09 74.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 52.43 111.121 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -48.93 -47.15 43.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.866 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 381' ' ' ALA . 53.5 mt -75.86 -34.82 60.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 43.52 110.904 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -56.36 -64.14 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.94 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 421' ' ' ASN . . . . . 0.487 ' ND2' HG22 ' B' ' 417' ' ' THR . 9.5 p30 -62.41 -33.27 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 72.53 110.895 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -55.05 -46.49 75.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 71.45 110.927 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.436 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 41.1 m-85 -75.35 -35.63 61.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 54.34 110.848 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 424' ' ' LYS . . . . . 0.544 ' HG3' HD12 ' B' ' 444' ' ' LEU . 0.0 OUTLIER -51.42 -53.19 39.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 71.03 110.91 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -55.66 -33.39 64.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 62.42 110.893 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 426' ' ' MET . . . . . 0.467 ' O ' HG23 ' B' ' 429' ' ' VAL . 7.7 mtm -75.88 -26.78 57.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.862 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 427' ' ' PHE . . . . . 0.719 ' CE2' HD13 ' A' ' 397' ' ' ILE . 12.3 m-85 -79.47 -35.78 39.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.875 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.479 HD12 ' N ' ' B' ' 429' ' ' VAL . 2.7 pp -86.74 -46.48 9.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 72.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.479 ' N ' HD12 ' B' ' 428' ' ' LEU . 96.0 t 51.76 82.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.106 179.852 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 93.19 -33.3 5.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 42.01 112.521 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.407 ' HB2' HD13 ' B' ' 428' ' ' LEU . 3.2 tt0 63.83 -168.5 0.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.917 0.389 . . . . 62.22 110.888 -179.872 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -50.25 115.47 3.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 64.44 112.5 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -94.64 101.83 13.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 74.12 110.886 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 434' ' ' SER . . . . . 0.671 ' OG ' HG23 ' B' ' 435' ' ' VAL . 0.1 OUTLIER 65.1 160.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 63.33 110.87 -179.746 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.681 HG12 HG13 ' B' ' 436' ' ' ILE . 13.2 t 65.87 115.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 65.41 111.122 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.681 HG13 HG12 ' B' ' 435' ' ' VAL . 27.2 mt 65.17 147.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 70.25 111.157 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 23.8 p -115.25 31.71 6.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 73.13 111.186 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 438' ' ' GLN . . . . . 0.557 ' H ' HG22 ' B' ' 436' ' ' ILE . 22.8 tp60 -50.64 129.82 23.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 54.42 110.919 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 18.0 m -94.48 -173.07 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 74.11 111.132 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 1.3 mp 53.97 -174.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.93 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 441' ' ' ASN . . . . . 0.546 ' O ' ' HB2' ' B' ' 445' ' ' ALA . 2.5 m-80 -103.2 -169.13 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 71.33 110.923 179.878 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -110.54 -62.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.864 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 4.2 m -58.88 -55.04 40.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 55.1 110.869 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 444' ' ' LEU . . . . . 0.544 HD12 ' HG3' ' B' ' 424' ' ' LYS . 5.3 mt -64.14 -34.62 78.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 73.22 110.916 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 445' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' B' ' 441' ' ' ASN . . . -51.18 -35.29 35.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 72.51 111.113 179.798 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -54.93 -60.64 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.91 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -35.86 75.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.937 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 5.2 tmt_? -56.84 -63.12 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.896 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -39.71 69.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 73.21 110.901 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -53.26 -59.84 4.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 65.3 110.84 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -67.2 -35.89 80.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.871 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -35.59 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 65.55 110.829 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.27 -41.93 60.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 64.13 111.099 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -75.57 -50.92 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.42 110.906 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 25.7 tttt 55.08 41.9 31.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 72.25 110.912 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 95.0 m -49.31 -54.68 15.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 63.12 111.159 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.19 145.38 26.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.9 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -157.11 42.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.856 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -174.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 60.35 110.934 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -130.28 -96.61 0.76 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 71.53 112.479 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -158.94 134.5 8.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 72.41 110.928 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -147.41 80.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.891 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -100.92 -166.03 28.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 65.23 112.466 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -171.6 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.671 2.247 . . . . 74.05 112.349 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -70.35 -74.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.54 110.916 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 157.21 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.838 179.899 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 6.0 mttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 61.23 110.847 179.877 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.893 0.378 . . . . 74.34 110.868 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -162.06 137.21 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.511 . . . . 73.04 110.877 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -162.96 179.28 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 50.24 111.05 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -101.41 -176.43 3.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.12 111.098 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 72.5 m -138.78 135.8 35.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 73.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -168.77 156.22 7.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 71.32 110.926 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.75 133.11 50.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.11 111.144 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 6.8 m -68.78 -50.13 52.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 60.3 110.861 -179.861 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 3.6 tpt -59.87 -40.23 87.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 71.15 110.831 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -73.83 -35.81 64.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 75.24 110.849 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 43.0 t -70.91 -38.72 72.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.897 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -74.75 -34.64 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.889 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.741 ' HA ' HD12 ' A' ' 355' ' ' ILE . 12.1 mt -71.55 -47.24 56.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 73.52 110.909 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -57.52 -27.93 63.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.914 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -75.89 -36.35 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.862 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 352' ' ' LEU . 29.2 mt -63.11 -37.83 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 73.14 111.112 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -71.96 -48.54 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.44 110.827 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.66 93.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 63.02 111.103 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -55.0 -47.01 75.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.911 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 40.5 mt -69.74 -33.72 57.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 73.32 111.128 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -52.0 63.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.35 110.866 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -73.75 -27.93 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 61.12 110.906 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.2 p -79.02 -2.85 42.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.881 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 39.9 mt -120.52 26.33 9.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 63.44 110.881 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -70.03 169.9 12.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.893 179.829 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 1.001 HD11 HG22 ' B' ' 403' ' ' ILE . 6.2 tp -83.93 -38.98 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 75.13 111.098 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.53 -29.77 15.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.25 110.866 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -111.03 37.11 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 65.54 110.901 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.449 HD13 ' CD2' ' B' ' 406' ' ' PHE . 20.0 tp -52.34 107.41 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 61.41 110.907 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -129.55 79.69 1.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 74.15 110.906 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.708 ' HB ' HD11 ' B' ' 412' ' ' ILE . 15.5 m -62.42 -26.51 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 73.32 111.165 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -51.58 -40.38 59.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 71.21 110.849 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -33.56 59.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.877 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 31.4 t -53.29 -61.17 2.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.905 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -53.51 -47.09 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 55.44 111.166 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.91 -36.47 49.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.93 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.558 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.96 -50.33 13.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.118 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 6.1 mt -51.96 -36.0 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 72.3 110.906 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.62 -46.62 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 44.25 110.857 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.61 -44.5 93.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 34.12 110.893 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.818 HD12 HD12 ' B' ' 419' ' ' LEU . 0.6 OUTLIER -52.47 -51.78 57.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 52.31 110.925 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.09 -33.62 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 53.33 111.07 179.848 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.85 -36.47 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 74.33 110.851 -179.77 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.403 HD12 ' CD1' ' A' ' 355' ' ' ILE . 53.7 mt -71.86 113.67 9.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 63.21 110.951 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -74.45 74.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.866 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.09 120.05 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 44.12 111.12 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 386' ' ' THR . . . . . 0.529 HG23 ' H ' ' A' ' 389' ' ' GLN . 13.0 t -80.43 163.59 23.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 72.12 111.142 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -48.26 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.878 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -51.68 -52.66 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 70.25 110.864 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 389' ' ' GLN . . . . . 0.529 ' H ' HG23 ' A' ' 386' ' ' THR . 0.0 OUTLIER -64.22 -37.85 88.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.93 -179.932 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.47 -51.31 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.095 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 391' ' ' GLN . . . . . 0.502 ' O ' HG23 ' A' ' 394' ' ' THR . 5.0 mt-30 -52.2 -36.08 50.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.914 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.36 -34.82 48.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.877 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.402 ' CE1' HD12 ' A' ' 352' ' ' LEU . 76.5 m80 -95.23 35.62 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 70.14 110.866 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.8 ' HA ' HD12 ' A' ' 397' ' ' ILE . 4.3 p -61.69 -35.44 78.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 63.35 111.168 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.84 -46.72 87.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 65.31 110.912 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 396' ' ' MET . . . . . 0.498 ' HE2' ' HB3' ' A' ' 396' ' ' MET . 19.2 ttp -55.27 -40.69 71.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.888 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 394' ' ' THR . 8.5 mt -64.12 -46.6 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 64.34 111.132 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 1.7 m -55.28 -40.68 71.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 71.25 111.151 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 85.2 m -62.94 -38.61 91.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 64.32 111.131 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 397' ' ' ILE . 17.8 mt -59.01 -35.73 73.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.905 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -76.16 -29.02 57.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 75.05 110.894 179.793 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -75.04 -35.21 61.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 71.01 110.943 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.041 HG22 HD11 ' B' ' 365' ' ' ILE . 36.5 pt -74.11 -1.59 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.44 111.121 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -32.77 36.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 64.01 110.886 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.03 -20.39 7.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.936 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.469 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -41.58 119.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.903 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.87 135.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.904 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.571 HG22 ' HB ' ' A' ' 412' ' ' ILE . 9.8 p -55.78 138.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 43.23 111.136 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.4 t -68.82 175.37 3.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.865 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -77.2 -35.84 55.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.926 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.99 -38.63 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.11 111.148 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.726 HD11 ' HB ' ' B' ' 370' ' ' VAL . 95.4 mt -65.42 -54.23 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.31 111.105 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 24.5 ptp -60.81 -32.85 72.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 65.12 110.897 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.44 -41.75 65.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.887 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -71.07 -39.1 72.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.884 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 416' ' ' SER . . . . . 0.42 ' HB2' HD11 ' B' ' 403' ' ' ILE . 59.1 p -54.91 -48.17 73.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.89 -179.866 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 95.0 m -52.65 -46.72 67.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 73.02 111.135 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -52.26 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 71.21 110.866 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.796 HD12 HD12 ' B' ' 380' ' ' LEU . 4.3 mm? -67.37 -39.49 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 71.2 110.893 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -54.69 -51.86 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.889 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -69.8 -36.47 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.911 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -53.62 -47.39 70.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.885 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -70.89 -44.04 67.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 74.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -49.61 63.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 63.42 110.875 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.568 ' HA ' HD21 ' A' ' 428' ' ' LEU . 0.4 OUTLIER -51.4 -34.05 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 44.24 110.847 179.931 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 15.9 mtm -85.87 -26.28 25.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.873 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.461 ' CZ ' HD13 ' B' ' 397' ' ' ILE . 1.7 m-85 -67.39 -37.5 83.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 65.35 110.844 -179.916 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.78 HD12 HG12 ' A' ' 429' ' ' VAL . 0.8 OUTLIER -77.89 -57.6 3.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.931 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.78 HG12 HD12 ' A' ' 428' ' ' LEU . 13.1 p 179.31 52.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 70.12 111.11 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 50.54 -103.63 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 25.3 112.482 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -148.61 49.59 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 75.24 110.923 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -71.21 -135.38 0.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 64.41 112.505 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -95.64 36.06 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 72.32 110.859 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.01 122.97 47.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 75.02 110.881 -179.775 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.584 HG23 HG13 ' A' ' 436' ' ' ILE . 6.5 m -152.8 -178.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 45.03 111.103 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.584 HG13 HG23 ' A' ' 435' ' ' VAL . 15.1 mt 71.61 -70.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 70.31 111.113 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.61 119.62 5.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.3 111.169 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -107.8 35.9 2.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 73.44 110.928 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 6.3 m -152.83 71.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 34.11 111.127 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 440' ' ' LEU . 4.5 mm? -91.61 -35.86 14.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 61.0 110.935 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -51.9 104.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.856 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -116.1 -36.64 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.903 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 27.2 m -64.05 -54.99 25.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 75.3 110.832 -179.871 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.53 -35.87 65.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 75.3 110.905 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.71 -34.94 41.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.32 111.103 179.8 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.13 -60.73 2.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 72.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.89 -35.67 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 64.54 110.93 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -59.9 -35.74 75.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 53.15 110.919 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 449' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 453' ' ' ALA . 2.3 mt-30 -51.73 -36.0 45.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.924 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -68.78 -49.29 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.886 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -58.7 5.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.875 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -51.89 -36.72 49.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.21 110.856 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 449' ' ' GLN . . . -51.69 -37.08 49.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 74.2 111.111 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -52.56 -44.37 65.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.834 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 62.9 104.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.886 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 m -118.81 -43.0 2.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 60.34 111.148 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -103.46 160.12 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 72.51 110.912 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -155.75 87.99 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 75.11 110.894 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -84.2 167.8 16.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 44.03 110.889 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -77.83 -168.09 31.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.68 -0.771 . . . . 70.4 112.513 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.49 160.35 33.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 74.2 110.88 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -100.51 -51.49 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 65.12 110.889 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -174.28 169.88 42.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 54.43 112.484 179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 127.58 14.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 72.11 112.332 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.5 120.81 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 63.41 110.886 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.69 170.12 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.894 179.889 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 65.2 110.891 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.887 0.375 . . . . 74.43 110.838 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -162.11 137.36 7.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 74.02 110.862 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -163.13 179.28 7.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 50.42 111.102 179.859 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -101.34 -176.31 3.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 75.44 111.089 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 72.9 m -139.14 135.79 34.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 61.04 110.883 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -169.42 155.86 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.872 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.41 133.52 45.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 65.14 111.155 -179.921 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 6.8 m -69.78 -51.51 33.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 65.44 110.827 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 3.6 tpt -58.38 -40.31 81.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 74.02 110.86 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -73.21 -36.05 66.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.876 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 43.2 t -70.32 -39.52 74.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 65.45 110.867 -179.797 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.54 -35.1 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 64.45 110.882 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.812 ' HA ' HD12 ' B' ' 355' ' ' ILE . 14.2 mt -71.42 -47.92 52.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 63.21 110.962 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -58.22 -30.26 66.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 64.41 110.94 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -72.16 -36.61 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 71.42 110.85 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' B' ' 352' ' ' LEU . 19.0 mt -62.81 -40.35 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 75.43 111.113 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -67.83 -49.27 63.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.854 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.11 93.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 75.04 111.082 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -55.4 -46.08 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 74.45 110.892 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.47 HG22 HD12 ' B' ' 363' ' ' LEU . 40.7 mt -70.65 -33.79 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 62.43 111.124 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -55.59 -51.69 66.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.3 110.913 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -73.18 -26.59 61.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.926 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 3.2 p -82.1 -0.99 47.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 71.21 110.879 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.47 HD12 HG22 ' B' ' 359' ' ' ILE . 33.5 mt -121.34 26.35 8.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 45.15 110.911 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 170.74 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.891 179.853 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.041 HD11 HG22 ' A' ' 403' ' ' ILE . 6.1 tp -84.25 -39.3 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.139 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.402 ' N ' HG23 ' B' ' 365' ' ' ILE . 4.9 p-10 -92.85 -30.65 15.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 64.14 110.861 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -110.23 37.21 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 65.1 110.908 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 22.8 tp -52.36 107.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.914 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.41 80.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.899 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.726 ' HB ' HD11 ' A' ' 412' ' ' ILE . 15.4 m -63.05 -26.22 40.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 64.02 111.148 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -51.63 -40.44 59.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 73.44 110.906 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -33.46 60.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.853 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.34 -61.26 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.881 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -53.54 -46.19 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 64.33 111.121 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.93 -37.23 51.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.709 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.94 -49.19 16.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 73.15 111.08 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 6.1 mt -52.1 -35.45 47.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 72.3 110.891 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -66.51 -45.09 80.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 54.03 110.913 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -60.46 -45.53 93.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 62.51 110.879 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 419' ' ' LEU . 0.6 OUTLIER -52.4 -52.34 54.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 72.31 110.901 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.39 -33.66 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 71.22 111.104 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -36.33 62.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 63.33 110.834 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.2 mt -72.39 113.9 9.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 71.02 110.939 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -74.29 74.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 65.43 110.922 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 385' ' ' VAL . . . . . 0.412 HG22 HD11 ' B' ' 352' ' ' LEU . 21.4 t -66.9 119.96 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 70.11 111.104 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 386' ' ' THR . . . . . 0.531 HG23 ' H ' ' B' ' 389' ' ' GLN . 12.8 t -79.27 163.32 25.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 45.24 111.139 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 14.3 tpt -53.11 -47.16 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.883 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -52.01 -52.1 52.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.911 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 389' ' ' GLN . . . . . 0.531 ' H ' HG23 ' B' ' 386' ' ' THR . 0.4 OUTLIER -65.04 -35.98 82.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.939 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.64 -51.37 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 62.03 111.078 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 391' ' ' GLN . . . . . 0.485 ' O ' HG23 ' B' ' 394' ' ' THR . 4.9 mt-30 -52.95 -36.12 59.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.943 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -35.44 51.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 54.25 110.864 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -95.25 35.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.873 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.791 ' HA ' HD12 ' B' ' 397' ' ' ILE . 4.2 p -61.6 -35.4 77.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 54.13 111.138 -179.898 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.68 -46.33 87.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 74.34 110.925 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 396' ' ' MET . . . . . 0.508 ' HB3' ' HE2' ' B' ' 396' ' ' MET . 18.5 ttp -55.34 -41.61 72.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.869 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' B' ' 394' ' ' THR . 7.5 mt -63.64 -46.09 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.44 111.089 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 1.7 m -55.5 -40.7 72.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 55.43 111.138 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.0 m -63.14 -39.3 94.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 71.54 111.167 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' B' ' 397' ' ' ILE . 18.6 mt -58.14 -35.81 72.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.909 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -76.18 -29.02 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 60.31 110.88 179.867 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -75.05 -35.17 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.883 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 1.001 HG22 HD11 ' A' ' 365' ' ' ILE . 36.5 pt -74.11 -1.84 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 52.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -32.89 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 71.35 110.814 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.73 -20.35 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 65.42 110.874 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.488 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.5 OUTLIER -41.79 118.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 70.24 110.941 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.5 134.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 62.2 110.874 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' B' ' 412' ' ' ILE . 9.7 p -54.66 139.06 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 71.22 111.139 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.1 t -69.69 176.06 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 64.22 110.852 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -77.67 -35.89 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.924 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.18 -38.53 81.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 73.1 111.145 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.708 HD11 ' HB ' ' A' ' 370' ' ' VAL . 95.2 mt -65.32 -54.09 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 71.34 111.142 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.1 ptp -60.84 -32.91 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.849 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.15 -42.42 65.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.928 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -70.4 -39.01 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 74.32 110.867 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.433 ' HB2' HD11 ' A' ' 403' ' ' ILE . 56.2 p -55.04 -48.21 73.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 61.13 110.86 -179.874 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 95.8 m -52.83 -46.78 67.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 52.43 111.116 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -52.25 49.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.22 110.842 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.818 HD12 HD12 ' A' ' 380' ' ' LEU . 4.2 mm? -67.12 -40.24 86.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 43.52 110.932 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -54.0 -52.55 60.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 75.05 110.913 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -69.06 -36.54 77.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 72.53 110.896 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -53.64 -46.99 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.45 110.88 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.22 -43.99 66.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 54.34 110.894 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -49.79 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 71.03 110.865 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 425' ' ' ASN . . . . . 0.583 ' HA ' HD21 ' B' ' 428' ' ' LEU . 0.2 OUTLIER -51.46 -34.13 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 62.42 110.916 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 17.2 mtm -85.8 -25.44 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.908 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 427' ' ' PHE . . . . . 0.482 ' CZ ' HD13 ' A' ' 397' ' ' ILE . 1.8 m-85 -68.89 -37.35 78.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.915 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.797 HD12 HG12 ' B' ' 429' ' ' VAL . 0.9 OUTLIER -77.62 -56.95 4.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 72.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.797 HG12 HD12 ' B' ' 428' ' ' LEU . 12.7 p 178.69 52.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.097 179.861 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 50.68 -103.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 42.01 112.438 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -148.7 50.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 62.22 110.929 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -68.15 -134.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 64.44 112.536 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 30.4 p30 -98.67 37.85 1.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 74.12 110.863 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.68 111.21 21.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 63.33 110.837 -179.76 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.542 ' O ' HG23 ' B' ' 436' ' ' ILE . 4.3 m -153.32 81.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 65.41 111.133 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.542 HG23 ' O ' ' B' ' 435' ' ' VAL . 0.3 OUTLIER -170.02 -75.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 70.25 111.111 179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.05 119.73 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.13 111.125 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.97 40.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 54.42 110.914 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 6.4 m -152.7 68.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 74.11 111.121 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.22 -36.06 15.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 73.25 110.898 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 441' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' B' ' 445' ' ' ALA . 31.7 t-20 -53.32 104.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 71.33 110.88 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -115.66 -36.17 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.893 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 27.2 m -64.25 -54.9 26.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 55.1 110.833 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.9 -35.83 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.934 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 445' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' B' ' 441' ' ' ASN . . . -51.56 -34.94 39.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 72.51 111.129 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.15 -60.76 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.908 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -35.84 75.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.926 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -59.79 -35.97 75.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 73.21 110.904 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 449' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' B' ' 453' ' ' ALA . 2.3 mt-30 -51.53 -35.89 42.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.938 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -69.28 -48.54 61.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 65.3 110.886 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -59.32 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.915 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -51.9 -36.28 48.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 65.55 110.887 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 453' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' B' ' 449' ' ' GLN . . . -51.77 -37.26 50.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 64.13 111.124 179.907 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -52.43 -44.17 65.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.93 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 62.86 103.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 72.25 110.91 179.865 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 7.0 m -118.53 -42.76 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 63.12 111.112 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -103.6 160.09 15.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 73.2 110.846 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -155.7 88.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.849 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -84.07 167.87 16.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 60.35 110.901 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -77.78 -168.01 30.78 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.745 . . . . 71.53 112.485 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.67 160.38 33.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 72.41 110.9 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -100.67 -51.32 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.862 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -174.43 169.9 42.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 65.23 112.498 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 127.58 14.84 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.741 2.294 . . . . 74.05 112.318 -179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.55 120.83 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 71.54 110.898 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.79 170.0 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.867 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 61.23 110.927 179.856 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.843 0.354 . . . . 74.34 110.817 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.16 -37.15 34.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 73.04 110.908 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.59 148.75 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 50.24 111.072 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -141.93 -172.95 3.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.12 111.115 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 2.5 p -53.7 121.91 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 73.0 110.857 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.98 155.44 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 71.32 110.902 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.34 49.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 73.11 111.126 -179.885 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.09 -44.37 64.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 60.3 110.846 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.8 ttt -53.0 -35.26 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 71.15 110.914 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.55 -48.1 35.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.24 110.873 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.02 -40.39 73.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.41 110.865 -179.753 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.573 ' HE ' HD21 ' A' ' 383' ' ' LEU . 6.1 ptm85 -75.5 -34.28 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 74.54 110.883 -179.933 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.516 HD23 ' CG ' ' A' ' 393' ' ' HIS . 0.9 OUTLIER -61.01 -47.96 84.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.52 110.886 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -25.65 43.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.906 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -76.98 -34.91 57.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 75.43 110.88 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.464 HG23 ' HB1' ' A' ' 376' ' ' ALA . 73.3 mt -64.99 -42.22 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.14 111.13 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -71.86 -39.0 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 71.44 110.889 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.9 -45.89 66.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 63.02 111.086 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -54.98 -53.72 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.895 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 359' ' ' ILE . . . . . 0.554 HG22 HD12 ' A' ' 363' ' ' LEU . 41.8 mt -54.24 -34.25 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 73.32 111.134 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.32 -45.46 94.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.941 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -75.78 -30.55 59.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 61.12 110.882 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.6 p -80.86 -1.21 42.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.911 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 363' ' ' LEU . . . . . 0.554 HD12 HG22 ' A' ' 359' ' ' ILE . 35.2 mt -121.6 26.19 8.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 63.44 110.946 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -70.99 171.16 11.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.931 179.791 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 1.075 HD11 HG22 ' B' ' 403' ' ' ILE . 6.0 tp -84.34 -40.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 75.13 111.187 179.821 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.42 ' N ' HG23 ' A' ' 365' ' ' ILE . 25.0 t0 -93.65 -30.65 14.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.865 179.832 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -109.8 36.26 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 65.54 110.913 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.518 HD13 ' CD2' ' B' ' 406' ' ' PHE . 23.1 tp -53.34 107.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 61.41 110.948 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -124.62 67.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.906 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.718 ' HB ' HD11 ' B' ' 412' ' ' ILE . 9.6 m -51.06 -30.97 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 73.32 111.139 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -52.27 -41.31 62.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.894 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -34.33 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.872 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 373' ' ' CYS . . . . . 0.437 ' SG ' HG23 ' A' ' 359' ' ' ILE . 34.9 t -53.33 -46.07 69.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 70.04 110.866 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.7 mt -65.64 -48.44 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 55.44 111.129 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.79 -34.74 41.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.902 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.464 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.96 -53.52 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.084 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 44.7 mt -52.22 -42.76 63.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 72.3 110.904 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -34.91 76.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 44.25 110.837 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.16 -45.31 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 34.12 110.864 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.636 HD11 ' CZ ' ' B' ' 423' ' ' PHE . 3.4 tm? -60.37 -34.88 74.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 52.31 110.903 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.765 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -74.72 -34.41 62.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 53.33 111.086 179.81 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 5.8 m -77.34 -33.97 55.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.882 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.573 HD21 ' HE ' ' A' ' 351' ' ' ARG . 23.2 mt -55.1 -35.07 64.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 63.21 110.878 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 60.15 49.21 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.02 110.864 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.64 140.62 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 44.12 111.161 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -85.94 174.35 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 72.12 111.149 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 387' ' ' MET . . . . . 0.62 ' HE2' HD13 ' B' ' 440' ' ' LEU . 10.6 tpt -62.16 -36.9 83.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 74.23 110.872 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -54.29 -51.56 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 70.25 110.89 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -74.27 -36.04 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 70.44 110.937 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.06 96.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.34 111.063 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -35.93 43.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 75.25 110.917 -179.901 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -73.03 -35.05 66.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.937 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.516 ' CG ' HD23 ' A' ' 352' ' ' LEU . 67.8 m80 -101.26 35.73 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 70.14 110.847 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.504 HG22 ' CE2' ' B' ' 427' ' ' PHE . 0.8 OUTLIER -54.77 -34.85 63.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 63.35 111.148 -179.922 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.04 -38.22 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 65.31 110.894 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 36.2 ttp -55.3 -45.88 76.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 74.31 110.855 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.769 ' HA ' HD12 ' A' ' 400' ' ' LEU . 2.8 mp -62.03 -36.49 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 64.34 111.082 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 25.8 m -54.22 -36.73 63.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 71.25 111.09 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -73.61 -35.19 65.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 64.32 111.149 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 397' ' ' ILE . 30.7 mt -59.09 -36.28 74.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.929 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -29.26 57.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 75.05 110.847 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -75.4 -35.51 61.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 71.01 110.941 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.039 HG22 HD11 ' B' ' 365' ' ' ILE . 39.9 pt -73.38 -1.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.44 111.151 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -33.89 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 64.01 110.841 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 405' ' ' ARG . . . . . 0.52 HH21 HD23 ' B' ' 368' ' ' LEU . 0.0 OUTLIER -120.43 -20.08 7.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.91 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.563 ' HE1' HG13 ' B' ' 408' ' ' VAL . 0.7 OUTLIER -42.89 113.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.891 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -175.67 133.65 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.897 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.575 HG13 ' HE1' ' B' ' 406' ' ' PHE . 2.3 m -52.18 144.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 43.23 111.086 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -85.54 156.46 20.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.834 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -51.99 -35.75 47.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.925 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 411' ' ' VAL . . . . . 0.421 HG13 HG13 ' A' ' 412' ' ' ILE . 6.4 p -59.04 -39.8 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 73.11 111.117 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.707 HD11 ' HB ' ' B' ' 370' ' ' VAL . 78.6 mt -72.24 -49.55 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 74.31 111.112 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 18.8 mtm -61.55 -32.31 72.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 65.12 110.932 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.35 -53.19 13.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.858 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -59.54 -38.61 81.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.835 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 416' ' ' SER . . . . . 0.424 ' HB2' HD11 ' B' ' 403' ' ' ILE . 58.8 p -55.04 -49.55 71.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 71.33 110.895 -179.911 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 87.4 m -55.52 -47.7 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 73.02 111.108 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 6.6 ttp -50.95 -44.97 60.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 71.21 110.907 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' B' ' 381' ' ' ALA . 90.2 mt -74.34 -40.45 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 71.2 110.912 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -57.94 -60.76 3.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.905 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.28 -35.1 71.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 73.14 110.885 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -56.94 -49.64 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.868 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.631 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 55.5 m-85 -70.14 -37.15 75.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -60.77 -47.13 87.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 63.42 110.875 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.456 ' HA ' HD21 ' A' ' 428' ' ' LEU . 27.8 t-20 -51.86 -34.95 43.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 44.24 110.866 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 67.0 mtm -85.86 -34.88 20.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 74.21 110.911 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.46 ' CE2' HD13 ' B' ' 397' ' ' ILE . 7.5 m-85 -63.17 -37.01 85.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.35 110.894 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.3 pp -77.0 -34.27 57.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.872 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.567 ' N ' HD12 ' A' ' 428' ' ' LEU . 97.9 t 59.44 84.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 70.12 111.15 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 73.16 90.67 0.13 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.73 . . . . 25.3 112.485 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.86 145.83 55.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.391 . . . . 75.24 110.881 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 76.99 125.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 64.41 112.486 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -153.89 172.63 17.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 72.32 110.885 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 19.4 m -128.11 99.21 5.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 75.02 110.85 -179.798 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 436' ' ' ILE . 4.6 t 66.54 43.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 45.03 111.136 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 436' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 435' ' ' VAL . 0.4 OUTLIER -169.56 135.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 70.31 111.134 179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 12.3 t -130.08 140.74 50.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 73.3 111.14 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -97.91 70.65 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.898 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 24.8 m -51.84 140.75 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 34.11 111.11 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.412 HD13 ' HE2' ' B' ' 387' ' ' MET . 1.6 mt -165.8 -69.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 61.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -162.41 61.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.861 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.07 13.46 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 73.11 110.884 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 2.6 t -62.27 -38.61 89.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 75.3 110.904 -179.917 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.53 -35.87 68.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 75.3 110.896 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.8 -38.06 54.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.32 111.066 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -57.69 -38.64 75.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 72.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -70.54 -35.98 73.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 64.54 110.913 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -52.02 -60.72 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 53.15 110.863 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.56 -36.17 69.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 74.13 110.878 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.03 -59.69 4.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.879 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.43 -43.25 64.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.885 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.27 -35.95 51.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.838 -179.914 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -56.6 -36.59 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.2 111.074 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -44.68 70.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.879 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -91.52 -172.9 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.893 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -171.11 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 60.34 111.144 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.87 120.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 72.51 110.871 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.95 124.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.916 179.894 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 179.27 -173.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 44.03 110.909 -179.898 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -163.73 55.17 0.28 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 70.4 112.506 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.34 49.82 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 74.2 110.914 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.38 168.34 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.907 179.864 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 60.65 167.1 0.32 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 54.43 112.492 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 78.72 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.265 . . . . 72.11 112.346 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 2.4 m120 57.31 36.26 27.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 63.41 110.898 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -126.91 -178.46 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.872 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 10.7 mttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 65.2 110.887 179.83 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.341 . . . . 74.43 110.861 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -37.21 33.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.02 110.836 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.54 148.9 28.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 50.42 111.082 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -141.82 -173.12 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.153 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 2.5 p -53.89 121.93 8.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 61.04 110.844 -179.802 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.18 155.02 42.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 74.35 110.909 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 346' ' ' THR . . . . . 0.411 HG22 ' CB ' ' B' ' 349' ' ' ASP . 0.2 OUTLIER -97.82 48.97 1.02 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 65.14 111.173 -179.937 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -44.45 63.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 65.44 110.839 -179.849 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.9 ttt -53.18 -36.46 60.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.02 110.87 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 349' ' ' ASP . . . . . 0.411 ' CB ' HG22 ' B' ' 346' ' ' THR . 2.1 t70 -72.88 -45.84 56.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 75.42 110.872 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -40.41 80.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 65.45 110.862 -179.77 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 351' ' ' ARG . . . . . 0.669 ' CZ ' HD21 ' B' ' 383' ' ' LEU . 12.7 ptm180 -75.16 -34.24 61.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 64.45 110.906 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.507 HD23 ' CG ' ' B' ' 393' ' ' HIS . 0.9 OUTLIER -60.54 -47.74 84.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 63.21 110.919 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -25.25 42.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 64.41 110.854 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -76.79 -35.74 57.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 71.42 110.906 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.532 HG23 ' HB1' ' B' ' 376' ' ' ALA . 70.8 mt -64.8 -42.66 95.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 75.43 111.174 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -70.76 -39.43 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.855 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.93 67.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.04 111.095 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.28 -53.16 59.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.855 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 359' ' ' ILE . . . . . 0.575 HG22 HD12 ' B' ' 363' ' ' LEU . 38.1 mt -54.18 -35.34 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 62.43 111.137 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -62.99 -43.38 98.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 74.3 110.897 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -76.05 -29.24 57.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.891 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 6.7 p -84.33 -0.51 52.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.894 -179.862 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 363' ' ' LEU . . . . . 0.575 HD12 HG22 ' B' ' 359' ' ' ILE . 33.4 mt -120.85 26.58 9.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 45.15 110.881 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 171.94 10.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.909 179.811 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.039 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.71 -40.71 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.155 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.426 ' N ' HG23 ' B' ' 365' ' ' ILE . 25.2 t0 -93.16 -31.52 14.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 64.14 110.872 179.867 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -108.7 36.22 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 65.1 110.916 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.52 HD23 HH21 ' A' ' 405' ' ' ARG . 22.7 tp -53.62 107.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.879 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -124.99 67.86 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.867 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.707 ' HB ' HD11 ' A' ' 412' ' ' ILE . 9.9 m -51.23 -30.44 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 64.02 111.111 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -52.19 -41.38 62.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 73.44 110.903 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -34.14 60.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 64.21 110.86 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 373' ' ' CYS . . . . . 0.437 ' SG ' HG23 ' B' ' 359' ' ' ILE . 33.0 t -53.16 -47.1 69.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 61.02 110.861 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.7 mt -64.99 -47.59 87.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 64.33 111.128 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.9 -35.49 45.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.532 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.62 -53.84 7.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 73.15 111.09 179.922 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 44.6 mt -52.21 -42.66 63.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 72.3 110.891 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -35.02 76.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 54.03 110.852 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.55 -45.33 72.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 62.51 110.852 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.631 HD11 ' CZ ' ' A' ' 423' ' ' PHE . 3.4 tm? -59.29 -35.67 74.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 72.31 110.898 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 381' ' ' ALA . . . . . 0.703 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -74.07 -34.79 64.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 71.22 111.157 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 5.8 m -76.48 -34.06 58.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.33 110.849 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.669 HD21 ' CZ ' ' B' ' 351' ' ' ARG . 27.4 mt -55.31 -34.85 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 71.02 110.959 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 59.8 49.38 8.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 65.43 110.946 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.78 141.22 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 70.11 111.16 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -86.83 174.34 8.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 45.24 111.162 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 387' ' ' MET . . . . . 0.422 ' HE1' ' HG2' ' B' ' 391' ' ' GLN . 11.3 tpt -61.86 -38.24 87.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 75.31 110.86 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -52.17 -52.01 54.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 74.44 110.93 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -36.04 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.879 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.69 92.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 62.03 111.123 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 391' ' ' GLN . . . . . 0.422 ' HG2' ' HE1' ' B' ' 387' ' ' MET . 0.0 OUTLIER -51.75 -35.9 45.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.905 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -72.61 -35.58 67.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 54.25 110.909 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 393' ' ' HIS . . . . . 0.507 ' CG ' HD23 ' B' ' 352' ' ' LEU . 68.7 m80 -101.12 35.66 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.898 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.74 -35.21 63.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 54.13 111.117 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.38 -38.15 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.871 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 35.5 ttp -55.4 -46.6 76.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.889 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.766 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.7 mp -61.11 -35.48 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.44 111.146 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.0 m -54.96 -37.54 66.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 55.43 111.142 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.4 m -72.59 -35.61 67.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 71.54 111.188 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.766 HD12 ' HA ' ' B' ' 397' ' ' ILE . 29.6 mt -58.5 -36.61 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 75.11 110.887 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -28.91 57.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 60.31 110.946 179.812 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -75.59 -35.36 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 72.14 110.907 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 1.075 HG22 HD11 ' A' ' 365' ' ' ILE . 39.9 pt -73.46 -1.7 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 52.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.15 -34.01 43.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.35 110.869 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.47 HH21 HD23 ' A' ' 368' ' ' LEU . 0.0 OUTLIER -120.22 -20.25 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 65.42 110.897 -179.942 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.575 ' HE1' HG13 ' A' ' 408' ' ' VAL . 0.8 OUTLIER -42.68 113.45 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 70.24 110.912 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -175.65 133.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 62.2 110.919 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.563 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.3 m -51.95 145.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.22 111.161 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 409' ' ' SER . . . . . 0.426 ' H ' HD12 ' B' ' 412' ' ' ILE . 3.1 m -86.28 156.36 20.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 64.22 110.863 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -51.76 -35.79 44.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.91 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 411' ' ' VAL . . . . . 0.404 HG13 HG13 ' B' ' 412' ' ' ILE . 6.3 p -59.12 -40.18 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.1 111.102 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.718 HD11 ' HB ' ' A' ' 370' ' ' VAL . 77.7 mt -71.6 -50.41 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 71.34 111.147 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.7 mtm -60.89 -32.84 72.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 75.13 110.879 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.63 -53.44 13.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.847 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -59.41 -39.51 83.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.872 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 416' ' ' SER . . . . . 0.451 ' HB2' HD11 ' A' ' 403' ' ' ILE . 60.0 p -55.06 -48.33 73.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 61.13 110.855 -179.901 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 90.4 m -55.38 -51.65 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 52.43 111.168 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 6.6 ttp -48.88 -43.71 39.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.916 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.765 HD21 ' HB2' ' A' ' 381' ' ' ALA . 86.4 mt -75.15 -34.91 61.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 43.52 110.913 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -60.48 -63.06 1.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.905 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -59.57 -31.4 69.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 72.53 110.902 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -56.26 -47.98 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 71.45 110.889 179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 423' ' ' PHE . . . . . 0.636 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 57.0 m-85 -75.75 -35.89 60.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 54.34 110.896 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -60.57 -47.7 85.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.9 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 425' ' ' ASN . . . . . 0.406 ' HA ' HD21 ' B' ' 428' ' ' LEU . 27.8 t-20 -51.49 -35.16 38.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 62.42 110.87 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 67.6 mtm -85.81 -33.73 21.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.891 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 427' ' ' PHE . . . . . 0.504 ' CE2' HG22 ' A' ' 394' ' ' THR . 3.1 m-30 -63.59 -37.15 86.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.84 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.558 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.3 pp -77.67 -34.73 52.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 72.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.558 ' N ' HD12 ' B' ' 428' ' ' LEU . 97.1 t 60.05 83.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.135 179.839 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 74.98 91.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 42.01 112.512 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.25 145.82 53.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 62.22 110.886 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 72.34 121.89 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.763 . . . . 64.44 112.47 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -161.28 169.62 21.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.824 0.345 . . . . 74.12 110.901 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 19.5 m -118.88 118.15 30.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 63.33 110.837 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 435' ' ' VAL . . . . . 0.809 HG12 HG13 ' B' ' 436' ' ' ILE . 13.3 t 66.07 117.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 65.41 111.108 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 436' ' ' ILE . . . . . 0.809 HG13 HG12 ' B' ' 435' ' ' VAL . 13.0 mt 67.72 140.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 70.25 111.136 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 13.0 t -124.87 169.56 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 73.13 111.172 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -88.28 80.11 7.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 54.42 110.89 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 24.9 m -64.11 143.18 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 74.11 111.159 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 440' ' ' LEU . . . . . 0.62 HD13 ' HE2' ' A' ' 387' ' ' MET . 1.8 mt -163.79 -72.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.884 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -156.75 61.55 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.938 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.48 13.56 23.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.907 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 2.6 t -61.51 -38.77 88.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 55.1 110.835 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -35.89 69.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 73.22 110.935 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.62 -37.85 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.51 111.131 179.759 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.67 -38.53 75.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.883 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -70.83 -35.92 72.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 75.01 110.922 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -51.82 -61.4 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 73.21 110.868 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.01 -35.91 67.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.913 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.15 -59.37 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 65.3 110.801 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -72.76 -43.27 63.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 75.43 110.917 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -36.49 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 65.55 110.889 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -53.22 -35.67 60.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 64.13 111.075 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.37 -41.28 61.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.856 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -79.3 -170.39 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.25 110.867 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.08 94.04 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.12 111.19 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 177.61 35.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 73.2 110.888 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.57 -167.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.888 179.857 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 68.2 164.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 60.35 110.908 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -141.96 72.78 0.38 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.716 -0.754 . . . . 71.53 112.47 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.01 48.35 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 72.41 110.873 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.23 172.17 7.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 72.34 110.878 179.838 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 61.28 165.79 0.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.753 . . . . 65.23 112.528 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 79.63 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 74.05 112.328 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 2.4 m120 56.48 36.52 27.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 71.54 110.877 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -126.37 -178.55 4.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.905 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 10.8 mttp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 61.23 110.927 179.843 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.876 0.37 . . . . 74.34 110.83 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -110.27 -169.9 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 73.04 110.876 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . 179.7 118.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 50.24 111.058 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 343' ' ' ALA . . . . . 0.641 ' HB1' ' SD ' ' A' ' 348' ' ' MET . . . -82.66 107.56 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.095 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.06 46.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 73.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.15 -170.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.933 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 20.4 p -51.69 -34.69 39.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 73.11 111.112 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.9 m -51.48 -35.9 42.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 60.3 110.896 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 348' ' ' MET . . . . . 0.641 ' SD ' ' HB1' ' A' ' 343' ' ' ALA . 0.0 OUTLIER -53.17 -36.16 60.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 71.15 110.821 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 75.24 110.865 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -37.47 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 64.41 110.909 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -74.99 -33.89 61.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 74.54 110.84 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 352' ' ' LEU . . . . . 0.564 ' HA ' HD12 ' A' ' 355' ' ' ILE . 2.3 mp -71.19 -47.78 55.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.903 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -56.07 -30.37 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.894 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.44 -39.4 46.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.859 -179.895 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 355' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 352' ' ' LEU . 22.8 mt -63.0 -37.07 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.14 111.114 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -72.07 -45.85 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 71.44 110.914 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.15 86.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 63.02 111.123 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.0 -41.68 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.869 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.9 -35.45 59.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.121 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -54.77 -48.74 72.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.902 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.62 -28.98 59.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 61.12 110.922 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.2 p -78.19 -3.08 40.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.51 110.878 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 55.6 mt -121.74 26.21 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 63.44 110.932 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 171.36 8.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.907 179.859 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 365' ' ' ILE . . . . . 1.035 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.74 -41.94 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.163 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.428 ' N ' HG23 ' A' ' 365' ' ' ILE . 31.3 t70 -91.43 -32.72 15.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.849 179.868 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -109.67 36.26 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 65.54 110.883 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 368' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' B' ' 406' ' ' PHE . 16.4 tp -53.56 107.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 61.41 110.918 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -123.98 70.05 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.877 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 370' ' ' VAL . . . . . 0.692 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.3 m -54.34 -29.52 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.32 111.132 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -52.08 -40.29 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 71.21 110.879 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.81 -34.48 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.865 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 38.0 t -53.36 -45.29 69.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 70.04 110.886 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -66.84 -37.67 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 55.44 111.147 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.39 -36.14 81.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.895 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 376' ' ' ALA . . . . . 0.455 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -77.04 -53.8 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.147 179.897 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 15.9 mt -52.07 -43.72 63.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.905 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -62.97 -33.64 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 44.25 110.883 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.43 -49.07 65.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 34.12 110.89 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 380' ' ' LEU . . . . . 0.663 HD12 HD22 ' B' ' 419' ' ' LEU . 3.3 tm? -51.65 -44.31 62.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 52.31 110.925 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.515 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -60.91 -26.44 67.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 53.33 111.089 179.787 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.59 27.23 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.849 -179.729 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.409 HD11 ' CD1' ' A' ' 355' ' ' ILE . 17.4 mt -114.87 -32.42 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 63.21 110.901 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 49.56 48.54 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 74.02 110.925 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.16 148.17 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 44.12 111.133 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.0 t -80.23 175.21 10.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 72.12 111.112 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 387' ' ' MET . . . . . 0.492 ' HE2' ' HA ' ' B' ' 427' ' ' PHE . 10.6 tpt -69.6 -40.04 76.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.819 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -51.84 -49.2 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 70.25 110.89 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.04 -35.7 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 70.44 110.89 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.88 98.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 73.34 111.081 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -36.03 42.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 75.25 110.924 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -72.78 -34.31 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 71.12 110.944 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.468 ' CG ' HD23 ' A' ' 352' ' ' LEU . 75.7 m80 -95.4 35.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 70.14 110.899 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.559 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.2 OUTLIER -54.31 -34.66 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 63.35 111.148 -179.884 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.7 -43.65 97.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 65.31 110.877 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 34.4 ttp -55.25 -43.69 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.895 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 397' ' ' ILE . . . . . 0.735 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.4 mt -64.7 -45.07 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 64.34 111.094 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 398' ' ' THR . . . . . 0.448 HG22 ' HE2' ' A' ' 402' ' ' LYS . 0.6 OUTLIER -54.16 -34.72 61.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 71.25 111.158 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 86.4 m -71.09 -34.94 71.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 64.32 111.111 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 397' ' ' ILE . 31.0 mt -61.61 -36.31 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.892 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -76.33 -28.84 57.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 75.05 110.917 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.448 ' HE2' HG22 ' A' ' 398' ' ' THR . 16.5 mttm -75.08 -35.77 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 71.01 110.884 179.875 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 403' ' ' ILE . . . . . 1.049 HG22 HD11 ' B' ' 365' ' ' ILE . 36.4 pt -73.16 -2.02 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 75.44 111.126 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -34.13 49.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 64.01 110.884 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 -19.98 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 75.44 110.859 -179.907 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 406' ' ' PHE . . . . . 0.572 ' HE1' HG13 ' B' ' 408' ' ' VAL . 1.0 OUTLIER -42.2 113.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.842 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -175.68 134.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.926 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 408' ' ' VAL . . . . . 0.488 HG13 ' HE2' ' B' ' 406' ' ' PHE . 2.6 m -54.07 143.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 43.23 111.111 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 39.2 t -82.62 154.08 25.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.85 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -51.45 -34.49 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 74.23 110.945 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.1 p -59.0 -39.73 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.116 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.696 HD11 ' HB ' ' B' ' 370' ' ' VAL . 87.8 mt -72.9 -44.16 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.148 179.887 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 9.0 mtt -62.98 -33.34 75.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.925 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.19 -53.32 11.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.896 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -56.79 -40.12 75.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.891 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 73.0 p -55.06 -51.86 65.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 71.33 110.829 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 417' ' ' THR . . . . . 0.563 HG22 ' OD1' ' A' ' 421' ' ' ASN . 58.7 m -52.92 -50.04 64.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 73.02 111.148 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -44.02 47.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 71.21 110.841 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.595 HD22 HD12 ' B' ' 380' ' ' LEU . 80.0 mt -74.41 -38.16 63.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 71.2 110.957 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.28 -60.12 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.942 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.563 ' OD1' HG22 ' A' ' 417' ' ' THR . 10.5 m120 -56.68 -35.73 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.14 110.911 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -53.07 -53.72 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.931 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 423' ' ' PHE . . . . . 0.565 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 20.1 m-85 -71.56 -35.87 70.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -58.06 -53.97 52.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 63.42 110.883 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.36 -32.27 48.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 44.24 110.868 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 426' ' ' MET . . . . . 0.475 ' O ' HG23 ' A' ' 429' ' ' VAL . 9.8 mtm -80.63 -27.45 37.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.871 179.908 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.4 ' HA ' ' HE2' ' B' ' 387' ' ' MET . 1.6 m-85 -77.44 -35.19 54.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.912 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.559 ' O ' HD13 ' A' ' 440' ' ' LEU . 2.8 pp -92.66 -46.09 7.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 74.31 110.937 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.481 ' N ' HD12 ' A' ' 428' ' ' LEU . 92.4 t 51.43 79.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 70.12 111.147 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 51.49 -104.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 25.3 112.476 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -151.25 -169.58 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 75.24 110.915 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -126.62 164.08 20.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.759 . . . . 64.41 112.459 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -72.51 82.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 72.32 110.815 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.63 129.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.893 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.54 74.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 45.03 111.138 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 8.5 mt -143.54 42.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 70.31 111.063 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.446 ' O ' HG23 ' A' ' 439' ' ' VAL . 0.2 OUTLIER 65.07 38.75 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.3 111.109 179.91 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.6 145.48 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 73.44 110.872 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 437' ' ' THR . 21.6 t -144.04 112.64 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 34.11 111.116 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 428' ' ' LEU . 3.9 mt -100.5 178.13 4.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 61.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 52.87 37.71 24.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 64.43 110.931 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.56 13.26 16.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 73.11 110.916 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 1.9 m -79.17 -55.11 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 75.3 110.851 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 444' ' ' LEU . . . . . 0.478 HD13 HH21 ' A' ' 448' ' ' ARG . 1.5 mt -74.08 -34.66 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 75.3 110.946 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.19 -35.3 35.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.32 111.103 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.29 -48.73 73.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 72.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -76.77 -35.84 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 64.54 110.932 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.478 HH21 HD13 ' A' ' 444' ' ' LEU . 21.8 mtt180 -51.96 -35.89 47.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 53.15 110.875 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -35.87 43.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.961 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -60.09 -45.19 93.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.51 110.821 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -77.47 -53.97 6.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 75.33 110.866 -179.861 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -51.83 -35.92 46.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.21 110.86 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.69 -35.52 43.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.2 111.084 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -70.68 -41.41 72.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.14 110.894 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.09 174.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.871 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.32 178.64 9.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 60.34 111.135 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.17 -178.19 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 72.51 110.933 179.869 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -153.56 160.94 42.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 75.11 110.872 179.837 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -176.9 138.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 44.03 110.948 -179.893 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 169.84 -146.97 10.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 70.4 112.469 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.43 -171.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 74.2 110.861 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -90.82 152.03 20.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.864 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 179.85 67.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.754 . . . . 54.43 112.459 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 165.8 29.78 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.619 2.213 . . . . 72.11 112.346 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -114.65 -174.5 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 63.41 110.89 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.08 142.93 49.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.882 179.91 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 65.2 110.854 179.833 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.921 0.391 . . . . 74.43 110.822 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 341' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' B' ' 342' ' ' ALA . 0.5 OUTLIER -138.85 -75.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 74.02 110.904 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 342' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' B' ' 341' ' ' ASN . . . 67.32 118.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 50.42 111.117 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 343' ' ' ALA . . . . . 0.557 ' HB2' ' NH1' ' B' ' 351' ' ' ARG . . . -90.3 117.44 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 75.44 111.106 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.18 48.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 61.04 110.878 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.97 -169.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.107 -0.497 . . . . 74.35 110.88 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 20.2 p -51.3 -35.04 35.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 65.14 111.1 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 12.2 m -51.76 -35.64 44.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 65.44 110.898 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 348' ' ' MET . . . . . 0.518 ' SD ' ' HB1' ' B' ' 343' ' ' ALA . 0.0 OUTLIER -53.14 -36.79 61.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 74.02 110.871 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.63 -37.16 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.833 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -38.31 83.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 65.45 110.86 -179.782 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 351' ' ' ARG . . . . . 0.557 ' NH1' ' HB2' ' B' ' 343' ' ' ALA . 16.4 ptp180 -74.33 -34.18 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 64.45 110.856 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.616 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.7 mp -71.08 -47.79 56.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 63.21 110.9 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.36 -30.08 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.928 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.18 -39.35 55.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.895 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 355' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.2 mt -63.61 -38.44 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 75.43 111.155 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -70.38 -46.38 64.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.889 179.836 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.87 84.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.04 111.104 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.98 -43.08 77.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.855 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 40.4 mt -69.8 -33.96 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 62.43 111.16 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -52.42 -51.96 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 74.3 110.893 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -75.16 -27.05 59.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.918 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -77.49 -4.07 43.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.894 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 57.5 mt -121.56 25.82 9.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 45.15 110.906 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 170.39 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.88 179.865 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 365' ' ' ILE . . . . . 1.049 HD11 HG22 ' A' ' 403' ' ' ILE . 6.0 tp -84.73 -40.52 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 74.33 111.133 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 366' ' ' ASP . . . . . 0.422 ' N ' HG23 ' B' ' 365' ' ' ILE . 31.6 t70 -91.89 -32.55 15.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 64.14 110.871 179.842 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -110.63 36.26 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 65.1 110.918 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 368' ' ' LEU . . . . . 0.56 HD13 ' CE2' ' A' ' 406' ' ' PHE . 16.3 tp -53.33 107.67 0.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.934 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -122.92 69.18 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.856 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 370' ' ' VAL . . . . . 0.696 ' HB ' HD11 ' A' ' 412' ' ' ILE . 7.2 m -53.68 -30.06 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 64.02 111.146 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -52.14 -40.29 61.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 73.44 110.879 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.7 -34.5 60.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 64.21 110.87 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.32 -46.46 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 61.02 110.924 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -66.06 -36.61 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 64.33 111.162 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.21 -38.08 89.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 376' ' ' ALA . . . . . 0.517 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.56 -52.59 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.15 111.124 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 16.4 mt -52.24 -42.04 63.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.896 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -62.96 -35.53 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 54.03 110.862 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.33 -50.04 71.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 62.51 110.88 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.595 HD12 HD22 ' A' ' 419' ' ' LEU . 2.3 tm? -52.91 -45.49 67.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 72.31 110.932 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.97 -33.79 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 71.22 111.084 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.73 -28.75 61.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 63.33 110.844 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.15 96.87 10.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.918 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.71 69.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 65.43 110.902 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 385' ' ' VAL . . . . . 0.42 HG22 ' O ' ' B' ' 386' ' ' THR . 2.7 p -66.82 141.14 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 70.11 111.125 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 386' ' ' THR . . . . . 0.42 ' O ' HG22 ' B' ' 385' ' ' VAL . 14.2 t -77.05 174.88 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 45.24 111.12 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 387' ' ' MET . . . . . 0.4 ' HE2' ' HA ' ' A' ' 427' ' ' PHE . 10.5 tpt -68.33 -40.23 81.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.866 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -51.92 -48.9 64.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.857 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -36.26 63.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.12 110.937 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.88 97.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 62.03 111.108 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -36.19 46.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 71.43 110.918 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -71.48 -34.78 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 54.25 110.89 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -95.27 35.62 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.855 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.429 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.2 OUTLIER -53.05 -35.27 59.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 54.13 111.145 -179.932 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.44 -42.14 91.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 74.34 110.822 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 27.7 ttp -55.26 -49.21 72.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.924 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 397' ' ' ILE . . . . . 0.795 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.7 mp -58.53 -45.91 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 71.44 111.171 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 398' ' ' THR . . . . . 0.472 HG22 ' HE2' ' B' ' 402' ' ' LYS . 0.5 OUTLIER -54.09 -36.13 62.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 55.43 111.173 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.1 m -70.54 -37.04 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.54 111.165 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 400' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' B' ' 397' ' ' ILE . 19.0 mt -61.04 -35.23 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 75.11 110.943 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -76.89 -29.11 55.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 60.31 110.907 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 402' ' ' LYS . . . . . 0.472 ' HE2' HG22 ' B' ' 398' ' ' THR . 16.5 mttm -75.45 -35.08 60.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 72.14 110.905 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 403' ' ' ILE . . . . . 1.035 HG22 HD11 ' A' ' 365' ' ' ILE . 39.3 pt -73.3 -1.74 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 52.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -33.81 42.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 71.35 110.88 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.13 -20.01 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 65.42 110.901 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 406' ' ' PHE . . . . . 0.49 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 1.1 t80 -41.98 112.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 70.24 110.903 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -175.05 134.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 62.2 110.918 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 408' ' ' VAL . . . . . 0.572 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.8 m -55.01 141.47 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 71.22 111.132 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.5 t -81.05 155.59 26.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.853 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -52.55 -34.14 48.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 73.33 110.933 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -58.52 -39.98 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 73.1 111.138 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 412' ' ' ILE . . . . . 0.692 HD11 ' HB ' ' A' ' 370' ' ' VAL . 85.7 mt -73.09 -46.55 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 71.34 111.143 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 9.0 mtt -62.1 -31.37 71.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.897 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.79 -51.51 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.912 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -59.87 -38.34 81.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.32 110.909 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.2 p -55.51 -51.93 65.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 61.13 110.864 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.6 m -53.67 -43.01 68.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.503 . . . . 52.43 111.141 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -50.44 63.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 74.22 110.871 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 419' ' ' LEU . . . . . 0.663 HD22 HD12 ' A' ' 380' ' ' LEU . 81.5 mt -71.9 -39.6 69.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 43.52 110.9 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -51.78 -62.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.958 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -57.32 -33.8 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 72.53 110.851 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -52.85 -52.01 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 71.45 110.89 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -72.62 -36.75 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 54.34 110.873 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -57.41 -54.25 48.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 71.03 110.869 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.06 -32.67 48.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 62.42 110.862 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 426' ' ' MET . . . . . 0.477 ' O ' HG23 ' B' ' 429' ' ' VAL . 9.4 mtm -80.96 -27.69 35.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.921 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 427' ' ' PHE . . . . . 0.492 ' HA ' ' HE2' ' A' ' 387' ' ' MET . 1.6 m-85 -77.17 -35.05 56.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.892 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 428' ' ' LEU . . . . . 0.485 HD12 ' N ' ' B' ' 429' ' ' VAL . 2.9 pp -93.24 -45.97 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 72.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 429' ' ' VAL . . . . . 0.485 ' N ' HD12 ' B' ' 428' ' ' LEU . 91.8 t 51.46 80.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 74.44 111.109 179.84 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 51.12 -104.1 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 42.01 112.508 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -151.63 -171.0 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 62.22 110.919 -179.889 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -137.97 157.54 24.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 64.44 112.456 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -71.8 104.21 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 74.12 110.91 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.09 -169.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 63.33 110.846 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 7.0 m -50.95 164.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 65.41 111.116 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 14.2 mt -85.46 53.14 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 70.25 111.097 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -166.4 31.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 73.13 111.099 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.99 148.23 47.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 54.42 110.896 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.05 111.94 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.11 111.128 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 440' ' ' LEU . . . . . 0.45 HD13 ' O ' ' B' ' 428' ' ' LEU . 3.7 mt -104.55 176.43 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.921 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 51.9 36.09 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 71.33 110.886 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.84 13.2 19.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.883 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 1.9 m -79.14 -54.92 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 55.1 110.872 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 444' ' ' LEU . . . . . 0.468 HD13 HH21 ' B' ' 448' ' ' ARG . 1.5 mt -74.0 -35.22 64.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 73.22 110.916 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.0 -35.47 34.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 72.51 111.063 179.807 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -48.91 73.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 74.42 110.875 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -76.82 -35.92 57.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 75.01 110.945 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 448' ' ' ARG . . . . . 0.468 HH21 HD13 ' B' ' 444' ' ' LEU . 30.1 mtt-85 -51.87 -35.76 46.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.895 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -35.77 45.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.908 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -60.15 -44.92 94.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 65.3 110.826 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.6 -53.87 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.91 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -51.95 -35.93 47.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 65.55 110.9 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.69 -35.56 43.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 64.13 111.095 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -70.57 -41.27 72.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.875 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.08 174.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 72.25 110.906 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.71 178.66 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 63.12 111.168 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.28 -178.03 3.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.885 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 46.2 p30 -153.73 161.05 42.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 72.44 110.891 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -177.1 138.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 60.35 110.91 -179.871 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 169.58 -147.07 10.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 71.53 112.474 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.21 -171.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.33 . . . . 72.41 110.918 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -90.91 152.05 20.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 72.34 110.904 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 179.83 67.19 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 65.23 112.479 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 165.62 30.28 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.747 2.298 . . . . 74.05 112.355 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -114.44 -174.52 2.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 71.54 110.91 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.04 142.96 49.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.906 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.279 -0.419 . . . . 61.23 110.918 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.816 0.341 . . . . 60.3 110.871 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.57 -37.69 63.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 71.15 110.884 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.73 -36.3 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.845 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.8 t -68.96 -38.91 79.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 64.41 110.839 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . 0.623 ' CZ ' HD21 ' A' ' 383' ' ' LEU . 11.9 ptm180 -74.83 -34.25 62.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 74.54 110.893 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.696 ' HA ' HD12 ' A' ' 355' ' ' ILE . 7.2 mt -69.62 -47.57 62.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 73.52 110.885 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.29 -27.44 62.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 72.33 110.904 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -76.87 -39.56 50.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 75.43 110.885 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 352' ' ' LEU . 30.2 mt -59.63 -38.7 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 73.14 111.142 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -72.1 -48.15 46.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.853 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.42 98.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 63.02 111.08 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -55.09 -46.52 75.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 64.34 110.91 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.446 HG23 ' SG ' ' A' ' 373' ' ' CYS . 43.7 mt -64.75 -33.4 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 73.32 111.107 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -63.01 -52.06 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.888 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -69.88 -30.22 67.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 61.12 110.942 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 13.6 p -75.67 -27.94 58.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 73.51 110.818 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.443 HD12 HG22 ' A' ' 359' ' ' ILE . 36.4 mt -94.38 26.84 3.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 63.44 110.924 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.47 170.4 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.876 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 0.941 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.29 -38.93 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 75.13 111.154 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -91.71 -32.67 15.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 72.25 110.869 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -106.57 36.4 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 65.54 110.881 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' B' ' 406' ' ' PHE . 16.2 tp -56.65 107.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 61.41 110.903 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -134.13 76.64 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.882 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.579 ' HB ' HD11 ' B' ' 412' ' ' ILE . 11.6 m -51.34 -29.21 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.13 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -51.71 -37.93 52.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.875 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -35.89 59.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 74.44 110.837 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 359' ' ' ILE . 7.9 t -54.76 -58.87 5.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 70.04 110.894 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.29 -40.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 55.44 111.148 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.61 -36.25 73.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.906 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.472 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -77.14 -53.88 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 74.24 111.099 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 17.4 mt -52.17 -35.45 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -63.22 -39.69 95.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 44.25 110.886 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -67.5 -50.0 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 34.12 110.903 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.625 HD12 HD13 ' B' ' 419' ' ' LEU . 3.3 tm? -52.93 -36.08 59.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 52.31 110.947 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.546 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -72.01 -40.27 68.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 53.33 111.13 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -35.76 74.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.831 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.623 HD21 ' CZ ' ' A' ' 351' ' ' ARG . 56.2 mt -61.0 135.76 57.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 63.21 110.93 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -92.64 56.24 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.957 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.89 136.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 44.12 111.109 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -100.45 172.84 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 72.12 111.12 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.2 tpt -55.23 -39.01 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.894 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -54.27 -52.66 60.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 70.25 110.948 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -72.99 -37.22 67.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 70.44 110.947 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.28 70.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.34 111.1 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . 0.47 ' O ' HG23 ' A' ' 394' ' ' THR . 1.6 mt-30 -51.8 -36.03 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.95 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -75.85 -35.8 59.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 71.12 110.881 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -97.96 35.55 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 70.14 110.832 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.607 HG22 ' CZ ' ' B' ' 427' ' ' PHE . 7.5 p -63.81 -34.53 78.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 63.35 111.159 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.24 -50.12 70.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 65.31 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.502 ' CE ' HD22 ' A' ' 352' ' ' LEU . 55.1 ttp -55.34 -35.19 64.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.91 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.813 ' HA ' HD12 ' A' ' 400' ' ' LEU . 49.9 mt -66.81 -35.38 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 64.34 111.126 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 2.7 m -59.88 -41.37 91.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 71.25 111.109 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.7 m -63.0 -40.09 96.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 64.32 111.162 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 397' ' ' ILE . 15.6 mt -52.96 -35.02 58.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.898 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -76.4 -28.47 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 75.05 110.884 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -75.79 -35.47 60.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 71.01 110.916 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 0.958 HG22 HD11 ' B' ' 365' ' ' ILE . 35.7 pt -73.13 -1.65 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.44 111.147 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -34.54 43.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.848 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -18.26 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.863 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.5 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -41.12 119.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 75.04 110.867 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.17 135.75 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.863 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.2 134.4 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 43.23 111.17 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 31.1 t -70.65 173.48 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.872 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.76 -34.16 64.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.966 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . 0.438 HG13 HG13 ' A' ' 412' ' ' ILE . 5.4 p -53.17 -41.1 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.11 111.149 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.583 HD11 ' HB ' ' B' ' 370' ' ' VAL . 93.8 mt -73.84 -48.3 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.31 111.133 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 19.5 mtm -56.7 -33.48 66.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 65.12 110.846 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -72.89 -52.97 12.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.899 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -58.64 -40.0 82.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.923 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 78.6 p -55.07 -49.9 70.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.829 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 85.8 m -55.09 -40.66 70.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 73.02 111.187 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 11.5 ttp -56.34 -49.35 74.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 71.21 110.896 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' B' ' 381' ' ' ALA . 53.6 mt -71.98 -37.39 69.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 71.2 110.943 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -62.74 -41.73 99.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.933 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.14 -45.27 57.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.14 110.844 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -53.66 -50.15 66.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.92 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -60.5 -40.43 91.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -58.13 -51.56 69.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 63.42 110.85 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.07 -35.38 47.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 44.24 110.916 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 34.9 mtm -73.76 -34.68 64.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.905 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.595 ' CZ ' HG22 ' B' ' 394' ' ' THR . 16.7 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 65.35 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.872 0.368 . . . . 65.44 110.841 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.25 -37.42 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 74.02 110.851 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.86 -35.03 64.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 75.42 110.848 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.8 t -69.68 -37.71 76.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 65.45 110.874 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . 0.672 ' CZ ' HD21 ' B' ' 383' ' ' LEU . 11.4 ptm180 -74.64 -34.48 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 64.45 110.917 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.77 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.2 mp -69.85 -48.15 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 63.21 110.867 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -56.75 -29.47 62.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 64.41 110.913 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -75.65 -39.79 57.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 71.42 110.866 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.77 HD12 ' HA ' ' B' ' 352' ' ' LEU . 18.1 mt -59.98 -38.28 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.148 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -71.68 -45.15 62.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.891 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.07 95.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 75.04 111.065 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -55.28 -46.4 76.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.88 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.442 HG23 ' SG ' ' B' ' 373' ' ' CYS . 48.4 mt -64.21 -33.98 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 62.43 111.151 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -62.93 -52.13 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.3 110.92 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -69.67 -30.09 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.88 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 15.3 p -75.72 -28.41 58.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.846 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.409 HD12 HG22 ' B' ' 359' ' ' ILE . 38.1 mt -94.01 26.8 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 45.15 110.911 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.37 170.48 8.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.89 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 0.958 HD11 HG22 ' A' ' 403' ' ' ILE . 5.5 tp -84.26 -38.77 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.33 111.147 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -91.91 -32.51 15.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 64.14 110.868 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -106.67 36.49 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 65.1 110.878 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 406' ' ' PHE . 16.6 tp -56.55 107.78 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.897 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -134.88 76.25 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.871 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.583 ' HB ' HD11 ' A' ' 412' ' ' ILE . 12.2 m -51.36 -28.79 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 64.02 111.133 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -51.8 -37.9 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.914 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -35.62 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 64.21 110.856 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.442 ' SG ' HG23 ' B' ' 359' ' ' ILE . 8.2 t -54.65 -58.84 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 61.02 110.916 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.26 -39.53 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 64.33 111.116 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.4 -36.86 74.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.568 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -77.02 -53.79 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 73.15 111.104 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 17.2 mt -52.21 -35.78 50.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 72.3 110.93 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -64.93 -37.1 86.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 54.03 110.853 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.1 -50.14 56.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 62.51 110.883 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.672 HD13 ' O ' ' B' ' 380' ' ' LEU . 1.9 tm? -55.68 -36.77 67.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.925 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . 0.487 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -68.74 -35.82 77.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.079 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -35.17 59.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 63.33 110.835 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . 0.672 HD21 ' CZ ' ' B' ' 351' ' ' ARG . 33.8 mt -60.6 136.93 58.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 71.02 110.969 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -93.93 56.48 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 65.43 110.905 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.95 137.54 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 70.11 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -100.44 172.93 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 45.24 111.147 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.12 -38.86 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 75.31 110.852 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -54.63 -51.63 64.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 74.44 110.915 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -73.84 -36.7 64.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.65 73.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 62.03 111.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . 0.496 ' O ' HG23 ' B' ' 394' ' ' THR . 1.6 mt-30 -52.18 -36.13 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 71.43 110.942 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -75.21 -35.91 61.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 54.25 110.885 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . 0.509 ' CG ' HD23 ' B' ' 352' ' ' LEU . 80.3 m80 -98.18 35.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 74.34 110.842 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.595 HG22 ' CZ ' ' A' ' 427' ' ' PHE . 7.5 p -63.17 -34.85 78.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 54.13 111.159 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.38 -49.45 72.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.885 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 55.3 ttp -55.43 -35.84 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.43 110.885 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.812 ' HA ' HD12 ' B' ' 400' ' ' LEU . 52.8 mt -65.77 -35.38 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.44 111.146 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 2.8 m -59.79 -42.37 93.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 55.43 111.181 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 96.6 m -61.59 -40.63 95.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 71.54 111.129 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.812 HD12 ' HA ' ' B' ' 397' ' ' ILE . 15.7 mt -53.03 -35.15 59.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.93 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -76.32 -28.49 56.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 60.31 110.91 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -75.55 -35.76 60.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.924 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.941 HG22 HD11 ' A' ' 365' ' ' ILE . 35.6 pt -72.97 -1.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 52.0 111.154 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -34.82 45.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.892 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.13 -18.26 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 65.42 110.869 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.513 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -41.13 119.87 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 70.24 110.922 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.7 134.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 62.2 110.875 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 8.6 p -61.27 135.74 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 71.22 111.146 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 29.9 t -72.19 174.02 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 64.22 110.852 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.94 -34.27 64.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 73.33 110.91 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . 0.428 HG13 HG13 ' B' ' 412' ' ' ILE . 5.3 p -53.31 -41.0 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 73.1 111.14 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.579 HD11 ' HB ' ' A' ' 370' ' ' VAL . 93.4 mt -73.75 -48.32 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 71.34 111.139 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 20.1 mtm -56.77 -33.25 66.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.902 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -72.75 -53.45 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -58.48 -40.04 81.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.854 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.2 p -54.98 -49.63 70.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 61.13 110.832 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 86.3 m -55.61 -40.39 72.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 52.43 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 11.6 ttp -56.7 -48.73 77.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.834 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.625 HD13 HD12 ' A' ' 380' ' ' LEU . 57.8 mt -72.57 -37.12 68.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 43.52 110.924 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -63.03 -41.82 99.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.05 110.898 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -45.34 58.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.53 110.887 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -53.4 -49.82 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.894 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -60.22 -42.2 94.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 54.34 110.932 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -56.49 -51.36 68.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 71.03 110.863 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -52.12 -35.76 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 62.42 110.872 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 34.5 mtm -73.79 -34.76 64.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.903 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . 0.607 ' CZ ' HG22 ' A' ' 394' ' ' THR . 17.2 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.915 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.863 0.363 . . . . 60.3 110.872 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -39.78 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 71.15 110.925 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.85 -35.72 64.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.807 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -37.74 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.825 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . 0.405 HH11 HD22 ' A' ' 383' ' ' LEU . 8.4 ptp180 -74.72 -33.93 62.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 74.54 110.929 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.672 ' HA ' HD12 ' A' ' 355' ' ' ILE . 1.5 mp -70.7 -47.8 57.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.52 110.884 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -56.76 -29.36 62.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.908 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -77.23 -39.65 47.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.874 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 352' ' ' LEU . 18.2 mt -62.22 -39.22 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.14 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -72.06 -41.56 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.44 110.856 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.02 79.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 63.02 111.085 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.13 -43.81 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 64.34 110.87 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.449 HG22 HD12 ' A' ' 363' ' ' LEU . 44.4 mt -64.62 -34.89 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 73.32 111.163 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -58.45 -47.28 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.875 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.75 -30.78 59.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 61.12 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 7.0 p -77.98 -3.08 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.51 110.857 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.449 HD12 HG22 ' A' ' 359' ' ' ILE . 50.4 mt -121.27 26.06 9.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 63.44 110.917 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 170.88 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.902 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 1.097 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.81 -41.11 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.13 111.125 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . 0.428 ' N ' HG23 ' A' ' 365' ' ' ILE . 21.7 t0 -91.97 -32.46 15.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.891 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.78 36.26 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 65.54 110.871 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.548 HD13 ' CD1' ' B' ' 406' ' ' PHE . 16.9 tp -53.52 107.79 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 61.41 110.895 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.99 68.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.846 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.621 ' HB ' HD11 ' B' ' 412' ' ' ILE . 9.8 m -52.15 -30.91 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.112 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -52.38 -41.44 63.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 71.21 110.822 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.6 -33.42 60.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.897 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 31.0 t -53.11 -47.24 68.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 70.04 110.952 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.45 -47.14 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 55.44 111.116 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.88 -35.08 43.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.855 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.461 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.37 -53.96 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 74.24 111.08 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.09 -39.28 63.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 72.3 110.916 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.22 -36.07 82.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 44.25 110.872 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.52 -45.68 68.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 34.12 110.892 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.653 HD12 HD13 ' B' ' 419' ' ' LEU . 3.2 tm? -57.32 -35.42 69.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.497 . . . . 52.31 110.893 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.536 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -70.32 -39.91 74.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 53.33 111.08 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -36.55 73.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.827 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.405 HD22 HH11 ' A' ' 351' ' ' ARG . 64.9 mt -59.31 136.88 58.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 63.21 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -89.11 66.49 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.02 110.874 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.34 142.89 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 44.12 111.092 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.2 t -112.59 171.49 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 72.12 111.161 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 2.8 ttt -55.97 -36.62 68.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 74.23 110.865 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -55.06 -59.3 4.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 70.25 110.898 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -67.44 -37.86 83.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.942 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.38 -45.21 88.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 73.34 111.089 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . 0.584 ' O ' HG23 ' A' ' 394' ' ' THR . 1.1 mt-30 -51.65 -36.09 44.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.93 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.1 -35.18 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.12 110.917 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.44 ' CG ' HD23 ' A' ' 352' ' ' LEU . 79.7 m80 -95.27 35.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 70.14 110.847 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 391' ' ' GLN . 8.5 p -59.03 -34.62 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 63.35 111.148 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -55.37 -48.77 73.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 65.31 110.87 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 58.4 ttp -55.41 -38.01 68.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.884 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.722 ' HA ' HD12 ' A' ' 400' ' ' LEU . 41.9 mt -68.15 -35.68 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 64.34 111.148 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 6.9 m -60.51 -43.6 96.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 71.25 111.119 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 63.1 m -62.4 -39.4 93.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 64.32 111.136 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.722 HD12 ' HA ' ' A' ' 397' ' ' ILE . 55.6 mt -51.91 -37.94 54.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.926 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.3 -28.96 57.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 75.05 110.886 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -75.0 -35.52 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 71.01 110.9 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.051 HG22 HD11 ' B' ' 365' ' ' ILE . 36.8 pt -73.57 -1.73 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.145 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -33.58 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 64.01 110.842 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.28 -20.27 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.885 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.555 ' HE2' HG13 ' B' ' 408' ' ' VAL . 0.8 OUTLIER -42.9 113.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.877 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -175.4 134.0 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 74.21 110.905 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.564 HG13 ' HE2' ' B' ' 406' ' ' PHE . 2.3 m -52.66 145.43 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 43.23 111.144 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 35.5 t -86.59 156.61 19.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.856 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -52.09 -36.07 49.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.892 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . 0.406 HG13 HG13 ' A' ' 412' ' ' ILE . 6.2 p -58.48 -40.0 77.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 73.11 111.112 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.657 HD11 ' HB ' ' B' ' 370' ' ' VAL . 81.9 mt -72.48 -49.87 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.141 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 8.5 mtt -60.77 -31.93 71.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 65.12 110.867 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -73.23 -52.92 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 73.25 110.932 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -58.89 -39.47 81.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.21 110.924 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 80.3 p -55.1 -50.95 67.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 71.33 110.806 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 40.3 m -52.72 -46.12 67.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 73.02 111.142 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 42.1 ttp -51.89 -52.19 51.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.867 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.705 HD13 HD12 ' B' ' 380' ' ' LEU . 40.1 mt -66.93 -43.38 83.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.2 110.92 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -53.19 -56.11 18.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.919 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -63.0 -35.66 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.897 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -53.29 -53.64 47.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 74.31 110.912 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.639 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 20.7 m-85 -75.47 -36.89 60.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 74.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -55.56 -41.82 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 63.42 110.9 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -34.82 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 44.24 110.881 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 28.8 mtm -76.31 -34.43 59.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.854 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.467 ' CZ ' HG22 ' B' ' 394' ' ' THR . 6.6 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 65.35 110.886 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.866 0.365 . . . . 65.44 110.812 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -38.07 61.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 74.02 110.875 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.49 -35.94 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.42 110.829 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -38.17 79.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 65.45 110.829 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.62 -35.78 62.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 64.45 110.831 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.719 ' HA ' HD12 ' B' ' 355' ' ' ILE . 10.3 mt -70.52 -47.89 58.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 63.21 110.939 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -56.99 -29.36 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.894 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -76.3 -39.36 54.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.877 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' B' ' 352' ' ' LEU . 13.8 mt -62.54 -40.09 86.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.43 111.131 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -69.27 -39.71 78.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.88 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.6 -42.24 71.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 75.04 111.094 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.72 -43.14 76.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 74.45 110.849 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.441 HG22 HD12 ' B' ' 363' ' ' LEU . 44.3 mt -64.71 -35.19 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 62.43 111.086 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -58.34 -46.97 85.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.859 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.65 -30.98 59.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 75.2 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.0 p -78.07 -3.04 40.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.836 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.441 HD12 HG22 ' B' ' 359' ' ' ILE . 50.6 mt -121.39 26.05 9.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 45.15 110.937 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 171.23 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.881 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.051 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.94 -40.74 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 74.33 111.134 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.425 ' N ' HG23 ' B' ' 365' ' ' ILE . 21.8 t0 -92.57 -32.28 14.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.871 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.8 36.36 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 65.1 110.87 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 406' ' ' PHE . 18.0 tp -53.68 107.71 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.919 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.43 68.94 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.844 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.657 ' HB ' HD11 ' A' ' 412' ' ' ILE . 10.2 m -51.91 -30.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 64.02 111.127 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -52.23 -41.19 62.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 73.44 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -75.8 -33.2 60.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 64.21 110.838 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 31.3 t -53.25 -47.94 68.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 61.02 110.889 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -64.54 -46.35 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 64.33 111.13 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.94 -35.83 47.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 75.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.614 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.01 -53.87 7.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.15 111.096 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 13.1 mt -52.37 -36.6 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.871 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.44 -36.12 82.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 54.03 110.86 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -49.89 57.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 62.51 110.92 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.705 HD12 HD13 ' A' ' 419' ' ' LEU . 3.1 tm? -54.26 -35.96 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 72.31 110.959 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . 0.511 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -69.93 -42.8 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.22 111.081 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -36.26 77.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 63.33 110.826 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 65.2 mt -59.84 136.91 58.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 71.02 110.895 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -88.74 66.36 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 65.43 110.914 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.15 142.28 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 70.11 111.123 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -112.31 171.29 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 45.24 111.163 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 2.8 ttt -55.42 -37.12 67.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 75.31 110.839 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.72 -59.17 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 74.44 110.898 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -67.68 -37.59 82.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.94 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.04 88.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 62.03 111.086 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . 0.593 ' O ' HG23 ' B' ' 394' ' ' THR . 1.2 mt-30 -52.19 -35.95 50.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.889 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -35.52 45.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 54.25 110.895 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -95.23 35.52 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.863 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 391' ' ' GLN . 7.1 p -58.58 -34.89 71.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 54.13 111.12 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -55.35 -49.25 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.886 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.9 ttp -55.7 -35.79 66.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.903 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.727 ' HA ' HD12 ' B' ' 400' ' ' LEU . 22.9 mt -69.08 -36.45 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 71.44 111.123 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 7.3 m -61.51 -43.13 99.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 55.43 111.115 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 62.1 m -61.28 -41.13 96.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 71.54 111.146 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' B' ' 397' ' ' ILE . 25.8 mt -52.67 -36.14 56.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.891 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.68 -28.84 56.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 60.31 110.869 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -75.89 -35.29 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 72.14 110.928 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 1.097 HG22 HD11 ' A' ' 365' ' ' ILE . 40.3 pt -73.12 -1.76 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 52.0 111.152 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -33.82 44.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 71.35 110.884 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.69 -20.26 7.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 65.42 110.844 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.564 ' HE2' HG13 ' A' ' 408' ' ' VAL . 0.8 OUTLIER -42.65 113.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 70.24 110.885 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -175.67 134.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 62.2 110.922 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.555 HG13 ' HE2' ' A' ' 406' ' ' PHE . 2.3 m -52.63 144.74 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 71.22 111.101 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 35.9 t -85.81 156.66 20.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 64.22 110.802 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -51.98 -36.15 48.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 73.33 110.87 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . 0.405 HG13 HG13 ' B' ' 412' ' ' ILE . 6.1 p -58.29 -40.18 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 73.1 111.144 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.621 HD11 ' HB ' ' A' ' 370' ' ' VAL . 81.9 mt -72.08 -50.09 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 71.34 111.144 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 8.6 mtt -60.47 -32.43 71.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.871 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -72.82 -52.76 13.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.902 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -58.73 -39.89 82.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.911 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.0 p -55.13 -50.47 69.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 61.13 110.834 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 36.2 m -52.87 -46.66 68.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 52.43 111.157 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 42.2 ttp -51.81 -52.18 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.891 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.653 HD13 HD12 ' A' ' 380' ' ' LEU . 41.0 mt -66.65 -43.85 83.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 43.52 110.938 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -51.58 -57.84 7.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 75.05 110.958 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -60.53 -34.88 74.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 72.53 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -53.28 -53.71 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.45 110.925 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.578 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 82.2 m-85 -74.02 -40.53 62.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 54.34 110.907 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -53.6 -44.02 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 71.03 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -35.93 79.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 62.42 110.868 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 29.0 mtm -76.56 -34.35 58.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . 0.476 ' CZ ' HG22 ' A' ' 394' ' ' THR . 6.8 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.888 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.881 0.372 . . . . 60.3 110.822 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.5 tpt -61.4 -40.98 96.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 71.15 110.866 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -35.69 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 75.24 110.862 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -38.79 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.886 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -74.65 -34.17 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.863 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 355' ' ' ILE . 11.6 mt -71.51 -47.42 55.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 73.52 110.91 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.05 -28.3 62.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 72.33 110.933 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -74.66 -35.56 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 75.43 110.875 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 352' ' ' LEU . 32.8 mt -63.26 -41.09 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.164 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -71.85 -40.91 68.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 71.44 110.889 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.93 -44.96 75.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 63.02 111.099 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -55.12 -48.19 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 64.34 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.524 HG22 HD12 ' A' ' 363' ' ' LEU . 43.3 mt -61.68 -35.19 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.11 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -59.35 -46.19 89.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.907 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -75.8 -30.4 59.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 61.12 110.922 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -80.15 -1.16 39.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 73.51 110.867 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.524 HD12 HG22 ' A' ' 359' ' ' ILE . 38.4 mt -121.84 26.16 8.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 63.44 110.929 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.54 170.09 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.89 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 1.086 HD11 HG22 ' B' ' 403' ' ' ILE . 6.0 tp -84.71 -39.74 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 75.13 111.141 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . 0.407 ' N ' HG23 ' A' ' 365' ' ' ILE . 2.8 p30 -91.75 -32.28 15.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 72.25 110.876 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -111.84 36.64 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 65.54 110.872 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.601 HD13 ' CE1' ' B' ' 406' ' ' PHE . 17.2 tp -53.24 107.92 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 61.41 110.892 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -123.98 69.29 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.15 110.897 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.654 ' HB ' HD11 ' B' ' 412' ' ' ILE . 7.5 m -52.28 -29.1 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 73.32 111.105 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -52.03 -43.12 63.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.89 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -75.02 -33.69 61.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.838 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 37.4 t -53.33 -42.04 66.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.888 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -70.3 -47.61 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 55.44 111.133 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -51.63 -35.36 41.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.866 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.499 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -74.83 -52.39 11.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.098 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 10.5 mt -52.08 -36.07 49.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.969 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.6 -42.32 91.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 44.25 110.837 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -45.94 90.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 34.12 110.906 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.848 HD21 ' HE3' ' A' ' 396' ' ' MET . 0.2 OUTLIER -52.34 -52.48 53.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 52.31 110.922 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.49 -30.67 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 53.33 111.103 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.53 -35.22 60.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.862 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.21 108.64 4.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 63.21 110.925 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.54 59.93 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.876 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . 0.409 HG23 ' CB ' ' A' ' 389' ' ' GLN . 5.8 p -67.2 137.57 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 44.12 111.166 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -92.19 171.64 8.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.12 111.115 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -38.35 63.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.83 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -52.09 -58.3 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 70.25 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . 0.409 ' CB ' HG23 ' A' ' 385' ' ' VAL . 2.4 mp0 -71.29 -35.76 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.912 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.39 -51.25 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.121 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -51.92 -38.49 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -71.72 -34.77 69.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.893 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -95.2 35.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 70.14 110.803 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.718 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.0 OUTLIER -61.34 -38.11 85.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 63.35 111.116 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.48 -43.68 75.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 65.31 110.862 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.848 ' HE3' HD21 ' A' ' 380' ' ' LEU . 29.8 ttp -57.35 -48.61 78.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.864 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.802 ' HA ' HD12 ' A' ' 400' ' ' LEU . 5.2 mt -57.43 -38.08 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 64.34 111.15 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -41.63 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 71.25 111.18 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.8 m -63.94 -37.47 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 64.32 111.116 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' ' 397' ' ' ILE . 27.0 mt -57.18 -35.58 69.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 73.43 110.922 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -77.17 -28.97 54.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 75.05 110.912 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -75.94 -34.22 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 71.01 110.882 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.033 HG22 HD11 ' B' ' 365' ' ' ILE . 41.1 pt -74.19 -1.7 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 75.44 111.141 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -34.02 37.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.875 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.19 -20.22 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.874 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.559 ' CE1' HG13 ' B' ' 408' ' ' VAL . 0.7 OUTLIER -42.04 114.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.906 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.405 ' HG3' ' HG3' ' B' ' 407' ' ' LYS . 0.0 OUTLIER -176.68 130.01 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.952 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.551 HG13 ' HE2' ' B' ' 406' ' ' PHE . 2.9 m -54.49 141.84 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 43.23 111.079 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 41.2 t -80.57 159.35 25.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.89 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.15 -35.62 67.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.5 p -56.24 -40.07 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 73.11 111.141 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.679 HD11 ' HB ' ' B' ' 370' ' ' VAL . 83.5 mt -72.54 -50.5 34.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.31 111.107 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.6 mtm -59.34 -32.69 70.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 65.12 110.857 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.04 -52.94 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 73.25 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -58.78 -39.81 82.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 75.21 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 80.9 p -55.07 -50.96 67.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.839 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 51.7 m -53.7 -43.81 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 73.02 111.12 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.6 ttp -53.61 -50.51 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.883 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' B' ' 381' ' ' ALA . 35.2 mt -69.93 -40.17 75.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 71.2 110.891 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -53.12 -51.24 62.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.941 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.455 ' HA ' ' HZ3' ' A' ' 424' ' ' LYS . 19.7 m-80 -70.06 -35.85 74.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 73.14 110.941 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -53.95 -53.36 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.924 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -67.71 -37.07 81.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . 0.455 ' HZ3' ' HA ' ' A' ' 421' ' ' ASN . 0.1 OUTLIER -56.42 -45.63 80.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 63.42 110.894 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -51.86 -36.91 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 44.24 110.889 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 33.4 mtm -79.11 -35.22 42.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.923 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 65.35 110.888 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.87 0.367 . . . . 65.44 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.5 tpt -59.97 -40.64 89.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 74.02 110.863 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.21 -36.18 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.867 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -39.55 74.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 65.45 110.886 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -74.58 -34.43 62.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 64.45 110.829 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.776 ' HA ' HD12 ' B' ' 355' ' ' ILE . 12.3 mt -71.47 -47.79 53.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 63.21 110.919 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -57.96 -29.94 65.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 64.41 110.899 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -72.18 -35.91 69.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.869 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.776 HD12 ' HA ' ' B' ' 352' ' ' LEU . 21.3 mt -63.54 -41.37 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.43 111.121 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -70.45 -40.67 73.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 74.23 110.878 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.37 73.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 75.04 111.113 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -55.24 -47.25 75.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.471 HG22 HD12 ' B' ' 363' ' ' LEU . 41.7 mt -61.97 -35.53 68.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 62.43 111.118 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -58.52 -46.42 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.3 110.913 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.62 -30.77 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.2 110.875 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -78.92 -2.75 41.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.867 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.471 HD12 HG22 ' B' ' 359' ' ' ILE . 47.8 mt -121.52 26.21 8.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 45.15 110.88 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -70.98 170.97 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.894 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.033 HD11 HG22 ' A' ' 403' ' ' ILE . 5.4 tp -84.4 -41.53 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.33 111.115 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.425 ' N ' HG23 ' B' ' 365' ' ' ILE . 2.8 p30 -91.56 -31.54 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 64.14 110.884 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.61 36.14 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 65.1 110.872 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 18.9 tp -53.6 107.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.928 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -125.51 69.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 74.12 110.819 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.679 ' HB ' HD11 ' A' ' 412' ' ' ILE . 7.8 m -52.64 -28.59 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 64.02 111.116 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -51.91 -43.01 63.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -75.16 -33.31 61.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 64.21 110.892 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 37.2 t -53.18 -43.48 67.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 61.02 110.87 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -68.81 -46.68 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 64.33 111.096 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -51.81 -35.78 45.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.584 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -74.65 -51.84 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.15 111.123 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . 0.458 HD23 HD12 ' A' ' 419' ' ' LEU . 10.4 mt -52.13 -36.12 50.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.892 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.97 -41.27 91.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 54.03 110.872 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -46.79 86.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 62.51 110.88 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.843 HD21 ' HE3' ' B' ' 396' ' ' MET . 0.2 OUTLIER -52.47 -52.76 52.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.899 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . 0.57 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -55.35 -30.71 60.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 71.22 111.114 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -35.1 60.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 63.33 110.829 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.98 109.07 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 71.02 110.915 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.61 60.07 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 65.43 110.915 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . 0.402 HG23 ' CB ' ' B' ' 389' ' ' GLN . 5.9 p -67.13 137.48 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 70.11 111.134 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -91.99 171.84 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 45.24 111.115 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -38.36 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.31 110.877 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -51.96 -58.12 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 74.44 110.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . 0.402 ' CB ' HG23 ' B' ' 385' ' ' VAL . 2.4 mp0 -71.41 -36.07 71.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.877 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.08 -51.28 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 62.03 111.079 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -52.28 -36.66 53.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 71.43 110.908 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -72.67 -35.28 67.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 54.25 110.9 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -95.34 35.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.709 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.0 OUTLIER -60.83 -38.49 85.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 54.13 111.149 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.38 -42.28 73.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.34 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . 0.843 ' HE3' HD21 ' B' ' 380' ' ' LEU . 28.3 ttp -58.31 -49.66 76.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.43 110.834 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.792 ' HA ' HD12 ' B' ' 400' ' ' LEU . 5.2 mt -56.7 -38.05 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 71.44 111.122 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -40.32 85.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 55.43 111.143 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -65.6 -35.86 82.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 71.54 111.162 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' B' ' 397' ' ' ILE . 28.4 mt -58.42 -36.13 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.892 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -28.86 56.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 60.31 110.879 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -74.91 -35.25 62.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.869 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 1.086 HG22 HD11 ' A' ' 365' ' ' ILE . 34.7 pt -73.77 -1.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 52.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -34.76 50.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 71.35 110.876 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.96 -19.03 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 65.42 110.894 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.601 ' CE1' HD13 ' A' ' 368' ' ' LEU . 1.7 t80 -42.71 114.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 70.24 110.86 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . 0.405 ' HG3' ' HG3' ' A' ' 407' ' ' LYS . 0.0 OUTLIER -178.28 134.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 62.2 110.881 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.559 HG13 ' CE1' ' A' ' 406' ' ' PHE . 2.1 m -51.21 155.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 71.22 111.162 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.3 t -96.65 156.14 16.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.892 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -51.6 -35.41 41.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.934 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -59.58 -39.81 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.128 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.654 HD11 ' HB ' ' A' ' 370' ' ' VAL . 82.6 mt -72.38 -52.17 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 71.34 111.125 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.5 mtm -58.8 -31.16 68.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.837 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.17 -53.36 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.913 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -58.57 -39.11 79.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.32 110.856 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.4 p -55.09 -51.99 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 61.13 110.825 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 44.9 m -52.6 -44.63 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 52.43 111.114 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.6 ttp -53.23 -50.33 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.852 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.49 HD12 HD12 ' A' ' 380' ' ' LEU . 4.3 mm? -69.05 -42.47 76.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 43.52 110.924 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -51.81 -52.0 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.947 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -68.63 -36.01 78.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.913 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -54.38 -53.49 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 71.45 110.86 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -67.56 -36.24 80.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 54.34 110.847 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -45.52 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 71.03 110.89 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -51.85 -36.71 49.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 62.42 110.837 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 33.6 mtm -79.45 -35.2 40.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.889 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 71.21 110.841 -179.891 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.846 0.355 . . . . 60.3 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -38.62 62.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 71.15 110.842 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.74 -36.09 65.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.41 . . . . 75.24 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 31.4 t -69.21 -38.68 78.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.85 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . 0.429 HH11 HD22 ' A' ' 383' ' ' LEU . 10.5 ptp180 -74.69 -34.13 62.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 74.54 110.848 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.67 ' HA ' HD12 ' A' ' 355' ' ' ILE . 14.2 mt -71.1 -47.24 59.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.936 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.19 -28.49 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.935 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -76.9 -36.81 56.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.847 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 352' ' ' LEU . 21.7 mt -65.29 -40.3 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 73.14 111.119 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -71.78 -38.33 70.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.44 110.87 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.39 64.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 63.02 111.081 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -54.62 -38.28 66.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 64.34 110.905 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.502 HG22 HD12 ' A' ' 363' ' ' LEU . 33.5 mt -75.14 -31.13 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.14 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -61.09 -52.84 63.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 71.35 110.896 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -72.93 -34.19 66.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 61.12 110.869 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.9 m -71.49 -10.66 60.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.827 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.502 HD12 HG22 ' A' ' 359' ' ' ILE . 31.5 mt -110.83 26.18 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 63.44 110.884 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.33 171.63 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.886 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 0.953 HD11 HG22 ' B' ' 403' ' ' ILE . 5.4 tp -84.51 -38.54 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 75.13 111.116 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -92.72 -32.62 14.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 72.25 110.853 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -106.24 36.05 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 65.54 110.894 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.482 HD13 ' CD1' ' B' ' 406' ' ' PHE . 18.3 tp -53.96 107.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 61.41 110.887 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.98 79.59 1.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.832 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.61 ' HB ' HD11 ' B' ' 412' ' ' ILE . 9.1 m -60.8 -27.49 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.32 111.149 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -51.87 -40.17 60.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.21 110.846 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -75.91 -34.86 59.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.907 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 25.5 t -53.23 -56.11 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 70.04 110.879 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.6 -49.78 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 55.44 111.144 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.72 -34.91 41.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 74.11 110.869 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.412 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.43 -51.68 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.24 111.138 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.517 HD11 HG23 ' B' ' 412' ' ' ILE . 8.8 mt -52.28 -41.36 62.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.873 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.89 -49.1 79.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 44.25 110.832 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -46.3 79.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 34.12 110.917 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.66 HD21 ' HE3' ' A' ' 396' ' ' MET . 0.9 OUTLIER -52.36 -54.26 34.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 52.31 110.912 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.485 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -57.17 -33.99 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 53.33 111.088 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.1 m -71.51 -36.87 71.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.863 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.429 HD22 HH11 ' A' ' 351' ' ' ARG . 60.9 mt -69.09 117.53 10.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 63.21 110.898 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.17 71.22 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.914 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -82.52 144.02 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 44.12 111.135 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -100.0 173.94 6.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 72.12 111.155 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 1.9 ttt -57.55 -39.39 76.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.23 110.915 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -52.0 -59.16 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 70.25 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -63.9 -35.68 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 70.44 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.29 92.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 73.34 111.065 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.67 -36.06 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.959 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -77.57 -34.35 53.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.91 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.415 ' CE1' HD12 ' A' ' 352' ' ' LEU . 79.7 m80 -95.12 35.66 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 70.14 110.866 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.689 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.8 OUTLIER -59.16 -35.32 73.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 63.35 111.176 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.99 -41.88 98.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.863 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.66 ' HE3' HD21 ' A' ' 380' ' ' LEU . 36.7 ttp -55.25 -37.32 67.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.856 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 394' ' ' THR . 4.4 mt -69.95 -44.1 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 64.34 111.149 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 95.6 m -54.09 -35.44 62.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.25 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.2 m -71.85 -38.56 70.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 64.32 111.118 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 397' ' ' ILE . 31.8 mt -57.92 -36.18 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 73.43 110.936 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.49 -28.82 56.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 75.05 110.892 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -75.13 -35.15 61.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.01 110.897 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 0.975 HG22 HD11 ' B' ' 365' ' ' ILE . 35.6 pt -73.71 -2.03 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 75.44 111.142 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -33.85 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 64.01 110.912 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . 0.444 HH21 HD23 ' B' ' 368' ' ' LEU . 0.0 OUTLIER -120.11 -19.53 7.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.893 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.499 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -40.1 120.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 75.04 110.884 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.4 135.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.878 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 408' ' ' VAL . 7.5 p -63.43 126.33 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 43.23 111.148 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 1.5 m -61.57 170.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.848 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -72.83 -33.88 66.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 74.23 110.906 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.2 p -53.02 -41.03 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 73.11 111.143 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.653 HD11 ' HB ' ' B' ' 370' ' ' VAL . 61.1 mt -73.82 -47.41 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.31 111.113 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 34.3 mtm -58.56 -34.66 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 65.12 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -42.5 58.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.903 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -68.35 -35.57 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.897 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 84.0 p -58.39 -49.66 76.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 71.33 110.923 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 95.0 m -53.67 -44.33 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 73.02 111.149 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.2 tpt -51.3 -49.31 61.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 71.21 110.893 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.462 HD22 HD12 ' B' ' 380' ' ' LEU . 56.1 mt -73.41 -38.48 65.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 71.2 110.951 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -53.76 -60.03 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.923 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -59.63 -34.73 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.838 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -53.22 -53.61 48.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.905 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.594 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 84.6 m-85 -73.88 -37.16 64.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 74.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -57.73 -44.0 85.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 63.42 110.898 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.16 -37.02 76.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 44.24 110.923 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 16.4 mtm -78.59 -34.82 46.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.872 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.516 ' HE2' HG22 ' B' ' 394' ' ' THR . 3.8 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.863 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.828 0.347 . . . . 65.44 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -38.49 66.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.02 110.882 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.29 -38.27 65.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 75.42 110.848 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 32.3 t -66.82 -39.24 87.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 65.45 110.847 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -74.36 -34.49 63.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 64.45 110.841 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.723 ' HA ' HD12 ' B' ' 355' ' ' ILE . 20.4 mt -71.44 -47.79 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 63.21 110.897 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -57.98 -29.72 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 64.41 110.919 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -74.71 -37.54 62.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 71.42 110.833 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' B' ' 352' ' ' LEU . 14.2 mt -65.2 -39.15 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.43 111.111 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -70.82 -39.7 72.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.23 110.879 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.09 -41.48 67.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 75.04 111.056 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.25 -40.72 71.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.874 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.433 HG22 HD12 ' B' ' 363' ' ' LEU . 46.7 mt -73.54 -34.64 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 62.43 111.104 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -58.24 -52.16 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.886 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -74.04 -31.4 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 75.2 110.878 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 40.0 m -73.55 -13.64 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.847 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.433 HD12 HG22 ' B' ' 359' ' ' ILE . 40.0 mt -107.65 26.62 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 45.15 110.927 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 170.64 7.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.915 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 0.975 HD11 HG22 ' A' ' 403' ' ' ILE . 5.0 tp -84.5 -38.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.33 111.155 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -92.03 -33.65 14.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 64.14 110.893 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -106.11 36.47 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 65.1 110.898 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.444 HD23 HH21 ' A' ' 405' ' ' ARG . 18.2 tp -53.79 107.29 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.949 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.12 80.06 1.89 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.85 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.653 ' HB ' HD11 ' A' ' 412' ' ' ILE . 12.0 m -60.16 -27.17 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 64.02 111.175 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -51.64 -39.69 58.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.886 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -75.94 -35.2 59.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 64.21 110.823 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.47 -56.59 15.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 61.02 110.839 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.407 HD12 ' O ' ' B' ' 370' ' ' VAL . 3.2 mt -53.51 -49.13 56.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 64.33 111.124 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.65 -35.15 41.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 75.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.595 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.26 -50.98 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 73.15 111.106 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . 0.451 HD11 HG23 ' A' ' 412' ' ' ILE . 10.3 mt -52.1 -38.99 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 72.3 110.894 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.85 -47.53 84.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 54.03 110.84 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -47.38 78.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 62.51 110.884 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.594 HD11 ' HZ ' ' A' ' 423' ' ' PHE . 1.1 tm? -52.45 -54.71 28.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 72.31 110.949 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . 0.435 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -56.29 -34.62 66.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.153 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.1 m -72.47 -36.08 68.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 63.33 110.839 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.03 118.03 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 71.02 110.893 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.66 71.38 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 65.43 110.911 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -82.5 144.14 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 70.11 111.11 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -99.58 173.91 6.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 45.24 111.128 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 1.8 ttt -58.03 -39.71 79.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.915 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -51.97 -59.2 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.917 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -63.46 -35.7 81.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.895 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.36 -42.98 92.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 62.03 111.106 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -51.66 -35.66 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 71.43 110.91 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -77.62 -34.91 53.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 54.25 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -95.17 35.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 74.34 110.878 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.688 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.8 OUTLIER -59.16 -35.28 73.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 54.13 111.143 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.81 -41.37 97.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.916 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . 0.434 ' HB3' ' HE2' ' B' ' 396' ' ' MET . 34.7 ttp -55.37 -37.81 68.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 75.43 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' B' ' 394' ' ' THR . 4.3 mt -69.97 -42.58 79.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 71.44 111.16 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 95.9 m -54.12 -35.76 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 55.43 111.144 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 90.5 m -72.37 -40.27 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 71.54 111.167 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' B' ' 397' ' ' ILE . 46.3 mt -54.62 -37.69 65.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.927 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.03 -28.92 57.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 60.31 110.909 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -74.63 -35.93 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 72.14 110.881 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.953 HG22 HD11 ' A' ' 365' ' ' ILE . 34.8 pt -73.42 -1.69 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 52.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -34.19 45.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 71.35 110.875 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.07 -20.15 6.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 65.42 110.836 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.5 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.08 120.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 70.24 110.857 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -176.61 134.09 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 62.2 110.895 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.27 126.85 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 71.22 111.103 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 1.9 m -62.49 171.15 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.883 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -73.14 -33.2 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.919 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.83 -42.18 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.1 111.108 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.61 HD11 ' HB ' ' A' ' 370' ' ' VAL . 40.9 mt -73.75 -45.63 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.34 111.092 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 34.0 mtm -59.11 -34.4 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.879 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -42.29 54.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.868 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -68.11 -35.21 77.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.918 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.9 p -58.59 -50.77 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 61.13 110.825 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 94.6 m -52.73 -44.36 66.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 52.43 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -51.49 -48.6 62.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.877 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 381' ' ' ALA . 54.5 mt -74.29 -36.57 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 43.52 110.857 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -56.94 -58.0 10.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 75.05 110.913 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -62.32 -35.33 78.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.53 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -53.2 -53.31 52.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.912 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.523 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 21.8 m-85 -75.38 -35.85 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 54.34 110.89 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -57.48 -43.85 84.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.856 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.39 -35.79 74.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 62.42 110.874 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 16.4 mtm -77.85 -35.2 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.904 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . 0.526 ' HE2' HG22 ' A' ' 394' ' ' THR . 3.6 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 71.21 110.916 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.903 0.382 . . . . 60.3 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.7 tpt -54.09 -41.22 68.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 71.15 110.87 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.04 -35.42 66.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.865 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 48.4 t -68.91 -39.21 79.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.854 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.77 -33.52 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.846 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.736 ' HA ' HD12 ' A' ' 355' ' ' ILE . 12.2 mt -71.37 -47.33 56.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.52 110.914 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.82 -27.64 60.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.959 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -76.77 -37.87 55.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.818 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 352' ' ' LEU . 30.9 mt -61.1 -42.98 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 73.14 111.128 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -72.11 -35.97 69.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.89 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.76 -48.31 64.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 63.02 111.109 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.06 -46.71 75.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 64.34 110.894 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.57 HG22 HD12 ' A' ' 363' ' ' LEU . 43.2 mt -62.02 -35.04 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.136 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -63.35 -46.1 88.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.889 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -75.7 -31.32 59.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 61.12 110.907 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 15.8 p -80.43 -1.11 40.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 73.51 110.883 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.57 HD12 HG22 ' A' ' 359' ' ' ILE . 31.0 mt -120.02 26.51 9.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 63.44 110.903 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -71.56 170.55 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.13 110.905 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 0.987 HD11 HG22 ' B' ' 403' ' ' ILE . 6.1 tp -83.65 -37.5 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 75.13 111.139 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -93.65 -29.87 15.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 72.25 110.858 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -110.9 36.7 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 65.54 110.922 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.487 HD13 ' CD1' ' B' ' 406' ' ' PHE . 20.5 tp -52.98 107.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 61.41 110.927 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.85 80.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.857 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' B' ' 412' ' ' ILE . 9.7 m -61.24 -27.1 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.121 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -51.82 -39.37 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.21 110.888 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -75.73 -35.27 60.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.925 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.472 ' SG ' HG23 ' A' ' 359' ' ' ILE . 12.2 t -53.89 -57.18 11.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 70.04 110.847 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.44 -50.44 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 55.44 111.142 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.63 -34.06 36.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.476 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.84 -51.26 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.24 111.109 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.46 HD11 HG23 ' B' ' 412' ' ' ILE . 11.4 mt -52.09 -40.19 60.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.929 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -49.06 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 44.25 110.884 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -46.02 85.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 34.12 110.901 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' B' ' 423' ' ' PHE . 1.2 tm? -52.32 -54.21 34.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 52.31 110.91 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.506 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -58.27 -34.49 70.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 53.33 111.11 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -36.44 70.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.853 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.06 117.15 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 63.21 110.909 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -79.03 64.32 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.929 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.89 141.24 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 44.12 111.135 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.0 t -100.96 171.32 7.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 72.12 111.153 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -38.14 64.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.879 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -52.21 -59.07 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 70.25 110.886 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -66.51 -35.87 81.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 70.44 110.918 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.22 82.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.34 111.144 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 394' ' ' THR . 1.3 mm100 -51.85 -37.65 52.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 75.25 110.89 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 2.4 mmpp? -75.22 -35.2 61.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -95.33 35.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 70.14 110.83 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.73 ' HA ' HD12 ' A' ' 397' ' ' ILE . 1.4 p -59.03 -36.11 74.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 63.35 111.159 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.08 -45.39 93.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 65.31 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.422 ' HE1' HD21 ' A' ' 380' ' ' LEU . 1.4 tmm? -55.38 -37.21 67.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.872 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.796 ' HA ' HD12 ' A' ' 400' ' ' LEU . 5.8 mt -70.07 -39.11 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 64.34 111.13 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 9.1 m -59.43 -40.14 85.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 71.25 111.125 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.0 m -65.39 -35.61 81.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 64.32 111.121 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' ' 397' ' ' ILE . 29.9 mt -58.7 -35.88 73.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.902 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -76.2 -28.65 57.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 75.05 110.898 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -75.2 -35.15 61.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 71.01 110.922 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.048 HG22 HD11 ' B' ' 365' ' ' ILE . 35.1 pt -73.93 -2.02 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.44 111.144 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -79.47 -33.5 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 64.01 110.896 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . 0.401 HH21 HD23 ' B' ' 368' ' ' LEU . 0.0 OUTLIER -120.62 -18.87 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 75.44 110.84 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.501 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -40.64 121.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 75.04 110.871 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -177.56 134.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.914 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.19 131.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 43.23 111.092 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 32.1 t -67.31 168.06 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.889 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -70.18 -34.49 73.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . 0.412 HG13 HG13 ' A' ' 412' ' ' ILE . 5.3 p -53.44 -40.47 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.11 111.135 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.636 HD11 ' HB ' ' B' ' 370' ' ' VAL . 94.9 mt -73.71 -47.04 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 74.31 111.167 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 34.1 mtm -59.4 -34.53 72.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 65.12 110.908 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.69 -44.38 56.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.875 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -67.4 -37.7 83.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.852 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 86.1 p -56.39 -47.59 78.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 71.33 110.797 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . 0.509 HG22 ' ND2' ' A' ' 421' ' ' ASN . 95.4 m -55.36 -46.52 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 73.02 111.158 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -49.06 -47.92 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 71.21 110.903 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' B' ' 381' ' ' ALA . 45.7 mt -75.57 -34.69 60.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.884 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -56.34 -63.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.911 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.509 ' ND2' HG22 ' A' ' 417' ' ' THR . 10.2 p30 -63.9 -32.09 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.898 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -52.57 -53.64 43.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.91 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.587 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 19.9 m-85 -75.67 -35.99 60.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 74.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -57.91 -39.36 77.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 63.42 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -61.45 -34.88 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 44.24 110.926 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 12.4 mtm -75.56 -35.35 60.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.852 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' B' ' 397' ' ' ILE . 41.1 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 65.35 110.851 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 11.6 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.907 0.384 . . . . 65.44 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.9 tpt -53.17 -39.86 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.02 110.826 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.1 -37.05 66.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 75.42 110.897 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.4 t -67.87 -39.17 83.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 65.45 110.822 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -74.52 -34.18 62.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 64.45 110.855 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.809 ' HA ' HD12 ' B' ' 355' ' ' ILE . 12.1 mt -71.39 -47.73 54.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 63.21 110.903 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -57.22 -29.17 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 64.41 110.908 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -74.56 -38.62 62.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.42 110.841 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' B' ' 352' ' ' LEU . 17.7 mt -61.11 -42.74 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.43 111.107 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -70.56 -36.12 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.89 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.98 65.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 75.04 111.116 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.25 -47.95 74.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.881 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.567 HG22 HD12 ' B' ' 363' ' ' LEU . 48.3 mt -61.28 -35.29 65.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 62.43 111.109 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -62.67 -46.52 87.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.887 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -75.84 -31.37 59.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.855 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 13.1 p -79.51 -2.21 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.822 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.567 HD12 HG22 ' B' ' 359' ' ' ILE . 34.4 mt -119.09 26.47 9.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 45.15 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.56 170.66 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.869 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.048 HD11 HG22 ' A' ' 403' ' ' ILE . 5.5 tp -84.25 -36.92 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.33 111.142 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -93.79 -31.02 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 64.14 110.874 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -110.14 36.82 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 65.1 110.876 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.433 HD13 ' CD2' ' A' ' 406' ' ' PHE . 20.5 tp -52.66 107.43 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.926 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.07 81.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.889 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' A' ' 412' ' ' ILE . 10.9 m -61.98 -26.55 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 64.02 111.162 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -51.79 -39.21 58.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 73.44 110.898 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -75.88 -35.35 59.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 64.21 110.865 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.474 ' SG ' HG23 ' B' ' 359' ' ' ILE . 14.5 t -53.7 -57.05 12.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 61.02 110.872 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.53 -49.58 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 64.33 111.158 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.48 -35.19 38.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.608 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.3 -50.62 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 73.15 111.098 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . 0.426 HD11 HG23 ' A' ' 412' ' ' ILE . 11.5 mt -52.16 -40.82 61.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 72.3 110.917 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -49.18 78.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 54.03 110.857 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -45.64 85.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 62.51 110.881 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.587 HD11 ' CZ ' ' A' ' 423' ' ' PHE . 1.4 tm? -52.64 -54.38 34.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.932 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . 0.488 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -58.02 -34.9 70.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.1 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -37.21 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 63.33 110.903 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 49.1 mt -65.81 118.21 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 71.02 110.918 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -80.48 63.57 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 65.43 110.908 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.9 p -76.44 140.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 70.11 111.109 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.4 t -100.36 171.67 7.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 45.24 111.118 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -38.03 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.871 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -52.17 -58.87 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -66.54 -35.96 81.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 74.12 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.7 -46.47 81.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 62.03 111.077 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . 0.504 ' O ' HG23 ' B' ' 394' ' ' THR . 1.3 mm100 -51.97 -36.15 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 71.43 110.959 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 2.5 mmpp? -75.44 -35.54 60.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 54.25 110.845 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -95.22 35.61 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.838 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.732 ' HA ' HD12 ' B' ' 397' ' ' ILE . 1.4 p -57.7 -35.65 70.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 54.13 111.145 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.76 -44.35 97.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.872 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . 0.463 ' HE1' HD21 ' B' ' 380' ' ' LEU . 1.5 tmm? -55.38 -37.66 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.88 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.808 ' HA ' HD12 ' B' ' 400' ' ' LEU . 5.6 mt -68.62 -42.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 71.44 111.153 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 8.5 m -58.65 -39.31 80.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 55.43 111.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 96.2 m -65.23 -34.93 79.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 71.54 111.11 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.808 HD12 ' HA ' ' B' ' 397' ' ' ILE . 18.8 mt -61.91 -35.26 77.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.922 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -75.9 -28.76 58.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 60.31 110.895 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -74.96 -35.95 62.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.88 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.987 HG22 HD11 ' A' ' 365' ' ' ILE . 34.0 pt -73.37 -1.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 52.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -78.82 -34.07 45.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 71.35 110.888 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -19.85 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 65.42 110.898 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.503 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.51 120.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 70.24 110.931 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -177.15 133.12 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 62.2 110.909 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.6 p -58.98 133.71 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 71.22 111.151 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.5 t -69.41 169.27 12.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 64.22 110.871 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -70.84 -34.57 71.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.891 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . 0.435 HG13 HG13 ' B' ' 412' ' ' ILE . 5.8 p -53.21 -40.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.154 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' A' ' 370' ' ' VAL . 89.3 mt -73.88 -46.27 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 71.34 111.12 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 33.8 mtm -59.69 -34.3 72.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 75.13 110.877 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.44 -43.37 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.922 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -67.97 -34.74 77.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.919 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.2 p -58.65 -50.23 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 61.13 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 42.8 m -53.52 -44.59 69.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 52.43 111.14 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -50.55 -49.09 56.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 381' ' ' ALA . 49.3 mt -74.39 -37.84 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 43.52 110.926 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -56.97 -57.23 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.903 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -63.89 -33.96 76.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 72.53 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -55.47 -53.83 51.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 71.45 110.907 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 65.8 m-85 -68.49 -44.23 75.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 54.34 110.875 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -53.68 -40.79 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 71.03 110.948 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -59.65 -36.05 75.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 62.42 110.928 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 12.3 mtm -77.04 -34.96 57.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 74.43 110.879 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . 0.552 ' HE2' HD13 ' A' ' 397' ' ' ILE . 35.8 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 71.21 110.862 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.897 0.379 . . . . 60.3 110.862 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.6 tpt -53.23 -38.6 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 71.15 110.862 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -73.77 -36.08 65.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.868 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 4.2 m -68.08 -36.32 79.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.867 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . 0.479 HH11 HD22 ' A' ' 383' ' ' LEU . 8.2 ptp180 -77.43 -33.07 54.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 74.54 110.896 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 352' ' ' LEU . 20.8 mt -74.83 -40.97 60.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.907 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -62.85 -35.35 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.84 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -77.18 -34.87 56.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.864 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 25.3 mt -62.38 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.143 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -71.99 -39.67 69.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.863 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.76 -42.87 81.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 63.02 111.075 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.78 -36.13 64.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 64.34 110.904 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.478 HG22 HD12 ' A' ' 363' ' ' LEU . 35.1 mt -75.0 -31.66 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 73.32 111.165 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -52.91 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.903 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -72.8 -31.17 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 61.12 110.901 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 16.7 m -75.23 -6.28 48.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 73.51 110.914 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.478 HD12 HG22 ' A' ' 359' ' ' ILE . 43.1 mt -117.44 25.98 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 63.44 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 169.79 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.909 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 0.995 HD11 HG22 ' B' ' 403' ' ' ILE . 5.9 tp -84.51 -37.64 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 75.13 111.116 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -93.05 -31.79 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 72.25 110.854 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -110.53 36.75 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 65.54 110.894 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.649 HD13 ' CE1' ' B' ' 406' ' ' PHE . 19.4 tp -53.13 106.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 61.41 110.919 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -126.51 70.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.15 110.821 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.666 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.7 m -54.34 -28.76 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.141 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -51.59 -43.81 62.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.87 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -76.07 -31.67 58.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.861 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.433 ' SG ' HG23 ' A' ' 359' ' ' ILE . 48.6 t -52.99 -45.9 68.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 70.04 110.904 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -66.11 -45.73 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 55.44 111.111 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.33 -33.49 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.906 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.79 -53.87 7.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 74.24 111.054 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.98 -35.66 47.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 72.3 110.893 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.63 -49.0 76.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 44.25 110.858 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -58.73 -45.99 88.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 34.12 110.891 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.568 HD21 ' HE3' ' A' ' 396' ' ' MET . 1.2 tm? -52.44 -49.56 64.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 52.31 110.9 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -60.27 -34.15 73.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 53.33 111.121 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.91 -36.78 67.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.816 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.479 HD22 HH11 ' A' ' 351' ' ' ARG . 62.7 mt -67.4 119.96 13.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 63.21 110.916 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -77.6 60.38 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 74.02 110.92 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.79 137.05 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 44.12 111.12 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.1 t -102.65 170.14 8.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 72.12 111.166 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -35.97 47.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.911 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -59.29 4.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 70.25 110.916 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -35.82 82.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 70.44 110.873 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.3 -48.24 82.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.34 111.11 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . 0.59 ' O ' HG23 ' A' ' 394' ' ' THR . 4.0 mt-30 -51.78 -35.9 45.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 75.25 110.919 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -81.73 -35.11 30.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 71.12 110.903 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -95.31 35.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 70.14 110.833 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 391' ' ' GLN . 17.1 p -59.44 -35.53 74.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 63.35 111.193 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.6 -47.5 76.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 65.31 110.913 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.568 ' HE3' HD21 ' A' ' 380' ' ' LEU . 47.0 ttp -55.36 -37.62 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.928 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.737 ' HA ' HD12 ' A' ' 400' ' ' LEU . 53.6 mt -68.74 -43.18 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 64.34 111.095 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 41.0 m -54.36 -36.73 64.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.25 111.145 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -70.5 -40.75 73.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 64.32 111.175 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 397' ' ' ILE . 10.9 mt -53.68 -36.82 62.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.918 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -28.91 57.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 75.05 110.896 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -75.66 -35.62 60.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.01 110.902 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.023 HG22 HD11 ' B' ' 365' ' ' ILE . 39.4 pt -73.66 -0.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.134 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -33.12 37.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.885 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -20.44 6.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.884 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.67 120.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.04 110.878 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -179.68 138.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.489 HG13 ' HE2' ' B' ' 406' ' ' PHE . 6.7 m -63.84 136.26 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 43.23 111.121 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 9.8 t -70.25 173.64 6.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.826 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -35.46 74.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 74.23 110.888 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 10.6 p -61.43 -29.6 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.11 111.112 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.77 HD11 ' HB ' ' B' ' 370' ' ' VAL . 78.2 mt -74.15 -51.47 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.149 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.1 ptp -66.28 -45.49 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 65.12 110.898 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.5 -33.33 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 73.25 110.895 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -76.91 -40.72 46.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.887 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . 0.445 ' HB2' HD11 ' B' ' 403' ' ' ILE . 54.5 p -56.5 -49.13 75.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.851 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 84.8 m -52.6 -34.24 49.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 73.02 111.165 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -48.95 79.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.859 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 51.0 mt -74.56 -36.38 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 71.2 110.91 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -66.13 -37.82 86.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.928 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -73.6 -34.97 65.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 73.14 110.878 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -70.09 -39.28 75.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.854 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.412 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 16.4 m-85 -75.38 -51.87 12.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -53.89 -32.28 52.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 63.42 110.924 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -68.07 -35.53 78.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 44.24 110.886 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 26.8 mtm -76.02 -34.62 59.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.937 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.474 ' CZ ' HG22 ' B' ' 394' ' ' THR . 12.9 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 65.35 110.821 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.858 0.361 . . . . 65.44 110.865 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.6 tpt -53.12 -38.37 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 74.02 110.904 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.29 -35.8 66.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.855 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 4.1 m -68.96 -38.2 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 65.45 110.844 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.79 -36.02 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 64.45 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.61 ' HA ' HD12 ' B' ' 355' ' ' ILE . 27.8 mt -71.47 -47.76 53.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.942 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -57.35 -31.07 65.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.895 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -76.66 -38.5 54.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 71.42 110.888 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.619 HG23 ' HB1' ' B' ' 376' ' ' ALA . 18.0 mt -62.52 -39.28 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.106 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -71.89 -43.55 65.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.843 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.36 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 75.04 111.095 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.96 -36.38 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.45 110.884 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.608 HG22 HD12 ' B' ' 363' ' ' LEU . 38.4 mt -72.73 -34.57 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 62.43 111.129 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -60.9 -51.11 70.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.9 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -71.31 -31.0 66.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 75.2 110.884 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 66.6 m -79.86 -2.01 41.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.855 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.608 HD12 HG22 ' B' ' 359' ' ' ILE . 25.8 mt -120.39 26.23 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 45.15 110.882 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -71.06 170.34 13.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.88 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.023 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.02 -38.4 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.076 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -93.22 -31.1 14.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 64.14 110.891 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -110.5 36.42 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 19.9 tp -53.18 107.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 73.24 110.903 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.45 67.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.895 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.77 ' HB ' HD11 ' A' ' 412' ' ' ILE . 16.1 m -51.75 -30.72 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 64.02 111.128 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -52.15 -42.07 63.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.906 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -75.77 -32.89 60.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 64.21 110.891 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.448 ' SG ' HG23 ' B' ' 359' ' ' ILE . 45.3 t -53.08 -48.84 67.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 61.02 110.838 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -63.05 -44.83 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 64.33 111.143 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.33 -34.79 35.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.619 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.74 -51.49 11.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.15 111.108 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 16.7 mt -52.2 -35.44 49.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 72.3 110.933 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.38 -49.14 72.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 54.03 110.859 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -57.11 -47.05 82.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 62.51 110.864 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.572 HD21 ' HE3' ' B' ' 396' ' ' MET . 1.0 OUTLIER -52.38 -52.2 54.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 72.31 110.948 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.69 -34.35 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 71.22 111.125 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.99 -37.13 67.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 63.33 110.88 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 67.5 mt -67.78 119.86 13.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 71.02 110.918 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -77.51 60.7 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 65.43 110.863 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.92 137.56 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 70.11 111.122 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 13.2 t -103.05 170.04 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 45.24 111.15 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -36.05 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.888 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -59.16 5.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.896 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -36.09 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.12 110.927 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.52 -48.5 81.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 62.03 111.081 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . 0.592 ' O ' HG23 ' B' ' 394' ' ' THR . 4.1 mt-30 -51.88 -36.07 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 71.43 110.92 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -81.19 -35.55 31.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 54.25 110.903 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -95.28 35.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.857 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.592 HG23 ' O ' ' B' ' 391' ' ' GLN . 16.5 p -59.42 -35.26 73.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 54.13 111.106 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.54 -47.28 76.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 74.34 110.864 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . 0.572 ' HE3' HD21 ' B' ' 380' ' ' LEU . 44.8 ttp -55.33 -39.95 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.844 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.74 ' HA ' HD12 ' B' ' 400' ' ' LEU . 54.2 mt -66.29 -43.5 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.142 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 43.9 m -54.13 -36.89 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 55.43 111.14 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -70.52 -40.07 73.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 71.54 111.138 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' B' ' 397' ' ' ILE . 11.0 mt -54.19 -37.35 64.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.876 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.27 -28.55 57.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 60.31 110.943 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -75.69 -34.16 60.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.925 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.995 HG22 HD11 ' A' ' 365' ' ' ILE . 36.3 pt -75.31 -1.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 52.0 111.09 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -34.1 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 71.35 110.858 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.0 -17.23 9.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 65.42 110.862 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.649 ' CE1' HD13 ' A' ' 368' ' ' LEU . 5.6 t80 -43.07 115.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 70.24 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -174.2 137.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 62.2 110.864 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.419 HG22 ' O ' ' B' ' 409' ' ' SER . 2.5 p -59.25 137.93 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 71.22 111.155 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . 0.419 ' O ' HG22 ' B' ' 408' ' ' VAL . 9.8 t -71.97 179.98 3.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 64.22 110.832 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . 0.4 ' HA ' ' HG2' ' B' ' 413' ' ' MET . 0.0 OUTLIER -80.12 -39.6 29.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.928 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.47 -29.3 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.1 111.137 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.666 HD11 ' HB ' ' A' ' 370' ' ' VAL . 85.9 mt -75.02 -54.04 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 71.34 111.08 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' B' ' 410' ' ' GLN . 22.1 ptp -62.02 -44.37 96.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.859 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -63.32 -32.75 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.895 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -76.64 -39.54 52.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.915 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . 0.417 ' HB2' HD11 ' A' ' 403' ' ' ILE . 60.3 p -57.85 -47.88 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 61.13 110.874 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 87.7 m -53.39 -34.35 57.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 52.43 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -48.05 82.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.86 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.54 -36.15 63.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 43.52 110.872 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -67.14 -37.6 84.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -73.49 -35.18 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.53 110.923 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -69.95 -39.26 76.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 71.45 110.896 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 16.6 m-85 -75.29 -51.71 12.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 54.34 110.909 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -54.23 -32.38 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 71.03 110.951 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -68.02 -35.39 78.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 62.42 110.868 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 26.6 mtm -75.99 -34.72 59.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.869 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . 0.477 ' CZ ' HG22 ' A' ' 394' ' ' THR . 13.1 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 71.21 110.84 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.891 0.376 . . . . 60.3 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -39.9 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 71.15 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -73.3 -35.9 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.866 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -38.73 76.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 64.41 110.912 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -75.66 -34.91 60.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 74.54 110.892 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.691 ' HA ' HD12 ' A' ' 355' ' ' ILE . 11.1 mt -71.78 -47.67 51.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.94 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -57.67 -30.46 65.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 72.33 110.873 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -73.18 -40.28 64.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.897 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 352' ' ' LEU . 19.8 mt -60.62 -41.82 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.164 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -71.98 -39.53 69.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 71.44 110.82 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.83 -45.27 78.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 63.02 111.123 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -55.12 -53.8 51.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 64.34 110.851 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.483 HG22 HD12 ' A' ' 363' ' ' LEU . 51.9 mt -55.09 -35.61 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.15 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -58.65 -51.9 67.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.35 110.856 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -72.97 -32.85 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 61.12 110.915 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 8.2 m -74.05 -7.67 53.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.51 110.828 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.483 HD12 HG22 ' A' ' 359' ' ' ILE . 43.5 mt -115.21 26.22 10.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 63.44 110.927 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 170.58 10.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 0.982 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.43 -37.82 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 75.13 111.111 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -92.7 -31.53 15.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.887 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.51 36.36 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 65.54 110.883 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.493 HD13 ' CD2' ' B' ' 406' ' ' PHE . 19.5 tp -53.48 107.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 61.41 110.911 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -131.46 81.84 2.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.857 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.556 ' HB ' HD11 ' B' ' 412' ' ' ILE . 8.9 m -60.92 -26.96 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.073 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -51.93 -39.91 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.89 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -75.76 -34.69 60.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.854 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.462 ' SG ' HG23 ' A' ' 359' ' ' ILE . 7.9 t -53.37 -59.56 4.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 70.04 110.872 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.33 -48.73 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 55.44 111.119 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.88 -35.24 44.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.49 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.82 -53.51 7.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.128 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.694 HD22 HD12 ' B' ' 419' ' ' LEU . 85.4 mt -52.2 -35.49 49.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.897 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.6 -48.9 79.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 44.25 110.901 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -43.55 98.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 34.12 110.883 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.725 HD21 ' HE3' ' A' ' 396' ' ' MET . 2.6 tm? -55.85 -37.11 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 52.31 110.953 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.51 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -73.55 -35.08 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 53.33 111.116 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -36.41 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 74.33 110.821 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 73.5 mt -58.99 131.11 50.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 63.21 110.913 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -89.6 55.35 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.02 110.917 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.98 137.64 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 44.12 111.111 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -102.74 171.85 7.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 72.12 111.145 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -40.65 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.897 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.17 -59.26 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 70.25 110.865 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.43 -36.56 81.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 70.44 110.921 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.98 77.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 73.34 111.09 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -51.93 -37.91 54.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.918 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.4 -35.4 61.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.912 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -95.26 35.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 70.14 110.84 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.515 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.1 OUTLIER -62.79 -38.23 89.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 63.35 111.14 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.44 -48.97 73.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 65.31 110.883 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.725 ' HE3' HD21 ' A' ' 380' ' ' LEU . 53.8 ttp -55.35 -35.65 65.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.852 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.804 ' HA ' HD12 ' A' ' 400' ' ' LEU . 60.8 mt -68.47 -36.64 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 64.34 111.151 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 16.7 m -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 71.25 111.128 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.2 m -64.55 -35.63 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 64.32 111.124 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 397' ' ' ILE . 21.5 mt -57.56 -35.22 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.918 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -76.25 -29.2 57.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 75.05 110.889 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -74.8 -35.62 62.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 71.01 110.909 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.025 HG22 HD11 ' B' ' 365' ' ' ILE . 35.9 pt -73.23 -1.55 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.44 111.098 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -34.45 42.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.01 110.85 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.63 -18.71 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.49 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.6 OUTLIER -40.13 117.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.879 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -174.28 135.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.414 HG22 ' HB ' ' A' ' 412' ' ' ILE . 10.7 p -61.86 133.49 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 43.23 111.179 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 37.9 t -68.94 167.57 15.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.888 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -69.55 -35.16 75.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . 0.424 HG13 HG13 ' A' ' 412' ' ' ILE . 5.6 p -53.36 -40.28 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 73.11 111.112 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.594 HD11 ' HB ' ' B' ' 370' ' ' VAL . 94.0 mt -73.56 -45.55 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.31 111.131 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.01 -33.25 72.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 65.12 110.88 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.31 -53.32 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.895 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -60.28 -41.22 92.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.887 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 94.1 p -54.95 -41.95 71.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.867 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 34.6 m -59.5 -57.75 11.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 73.02 111.14 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 8.5 ttp -49.5 -38.26 29.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 71.21 110.85 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.608 HD12 HD22 ' B' ' 377' ' ' LEU . 61.9 mt -75.23 -35.57 61.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 71.2 110.85 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -61.69 -62.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 74.23 110.942 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -59.54 -33.39 71.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -52.56 -46.34 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.885 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.594 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 60.0 m-85 -75.51 -46.41 32.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 74.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 11.4 tttm -52.96 -36.84 60.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 63.42 110.909 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -60.81 -35.41 76.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 44.24 110.944 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 23.3 mtm -76.81 -35.35 57.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.886 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 65.35 110.874 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.887 0.375 . . . . 65.44 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.57 -39.05 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 74.02 110.876 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.15 -37.01 66.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.889 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -39.33 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 65.45 110.839 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.87 -36.35 62.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 64.45 110.861 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.705 ' HA ' HD12 ' B' ' 355' ' ' ILE . 11.8 mt -71.57 -48.05 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 63.21 110.945 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -58.4 -32.64 68.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 64.41 110.896 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -70.3 -40.15 74.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 71.42 110.902 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' B' ' 352' ' ' LEU . 14.8 mt -61.81 -41.87 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.43 111.142 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -69.72 -38.68 76.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.841 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.69 -43.94 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 75.04 111.14 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -55.39 -54.09 48.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.45 110.893 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.468 HG22 HD12 ' B' ' 363' ' ' LEU . 54.3 mt -54.82 -35.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 62.43 111.127 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -58.32 -51.91 67.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 74.3 110.923 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -73.15 -32.59 64.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.88 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.2 m -74.12 -7.59 53.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.861 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.468 HD12 HG22 ' B' ' 359' ' ' ILE . 46.0 mt -115.49 26.22 10.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 45.15 110.901 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 170.7 9.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.917 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.025 HD11 HG22 ' A' ' 403' ' ' ILE . 5.4 tp -84.43 -37.84 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.134 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -92.86 -31.81 14.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 64.14 110.882 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.2 36.44 2.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 65.1 110.876 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 406' ' ' PHE . 19.3 tp -53.42 107.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.922 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -131.69 81.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 74.12 110.867 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.594 ' HB ' HD11 ' A' ' 412' ' ' ILE . 9.4 m -61.08 -26.72 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.02 111.117 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -51.81 -39.95 59.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.873 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -75.86 -34.57 60.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 64.21 110.889 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.449 ' SG ' HG23 ' B' ' 359' ' ' ILE . 10.8 t -53.45 -58.87 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 61.02 110.897 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.5 -48.11 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 64.33 111.103 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.77 -35.59 44.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.628 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.78 -52.89 8.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.15 111.129 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . 0.608 HD22 HD12 ' A' ' 419' ' ' LEU . 79.4 mt -52.21 -35.7 50.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 72.3 110.916 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.27 -49.04 78.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 54.03 110.872 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -42.88 99.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 62.51 110.896 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.701 HD21 ' HE3' ' B' ' 396' ' ' MET . 2.4 tm? -56.01 -40.49 73.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.899 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . 0.524 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -70.65 -35.09 72.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 71.22 111.057 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -37.08 67.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 63.33 110.856 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.54 131.18 50.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 71.02 110.875 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -90.02 55.57 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 65.43 110.925 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.95 137.46 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 70.11 111.149 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -101.97 172.47 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 45.24 111.164 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -40.46 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.859 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.43 -58.57 6.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.945 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.81 -36.29 80.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.891 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.71 -48.8 78.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 62.03 111.099 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -51.97 -36.89 51.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 71.43 110.959 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -35.77 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 54.25 110.883 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -95.36 35.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.874 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.578 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.1 OUTLIER -62.35 -37.78 86.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 54.13 111.156 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.43 -48.2 74.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.891 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . 0.701 ' HE3' HD21 ' B' ' 380' ' ' LEU . 53.9 ttp -55.6 -36.8 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 75.43 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' B' ' 400' ' ' LEU . 55.5 mt -66.54 -37.62 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 71.44 111.135 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 16.9 m -61.68 -39.73 92.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 55.43 111.151 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.0 m -64.42 -35.18 80.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 71.54 111.15 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' B' ' 397' ' ' ILE . 23.0 mt -58.28 -36.38 73.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 75.11 110.923 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -75.57 -29.07 59.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 60.31 110.916 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -74.27 -36.31 63.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.879 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.982 HG22 HD11 ' A' ' 365' ' ' ILE . 32.6 pt -73.46 -1.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 52.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -34.32 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 71.35 110.873 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.24 -18.82 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 65.42 110.868 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.503 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.86 118.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.896 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -174.79 134.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 62.2 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.11 134.3 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 71.22 111.126 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 37.2 t -69.73 168.22 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.858 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -70.1 -35.04 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 73.33 110.9 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . 0.432 HG13 HG13 ' B' ' 412' ' ' ILE . 5.8 p -53.2 -40.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 73.1 111.133 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.556 HD11 ' HB ' ' A' ' 370' ' ' VAL . 86.9 mt -73.87 -45.07 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 71.34 111.149 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.9 mtm -61.12 -32.52 72.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.888 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.91 -53.47 13.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.914 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -59.97 -39.42 85.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . 0.408 ' HB2' HD11 ' A' ' 403' ' ' ILE . 77.1 p -55.15 -46.62 75.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 61.13 110.845 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 37.7 m -56.68 -57.23 13.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 52.43 111.112 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 8.4 ttp -50.28 -35.7 28.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.866 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.694 HD12 HD22 ' A' ' 377' ' ' LEU . 50.3 mt -74.7 -46.44 37.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 43.52 110.922 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -59.65 -55.14 38.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.921 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -57.62 -35.14 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.92 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -57.99 -51.07 71.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.906 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.582 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 56.4 m-85 -66.39 -46.8 75.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 54.34 110.907 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -53.22 -35.72 60.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 71.03 110.876 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.65 -35.53 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 62.42 110.893 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 23.3 mtm -76.53 -35.11 58.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.868 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 71.21 110.898 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.825 0.345 . . . . 60.3 110.873 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -34.24 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 71.15 110.863 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -73.49 -35.8 65.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.889 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -39.08 89.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.883 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . 0.46 HH11 HD22 ' A' ' 383' ' ' LEU . 7.4 ptp180 -74.92 -33.62 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.54 110.878 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.688 ' HA ' HD12 ' A' ' 355' ' ' ILE . 1.1 mp -71.19 -47.77 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.962 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -56.08 -28.64 58.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.883 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -77.2 -41.0 43.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.847 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 352' ' ' LEU . 21.3 mt -59.69 -38.77 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 73.14 111.133 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -71.9 -51.14 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.838 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.63 94.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 63.02 111.11 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.17 -52.1 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 64.34 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 44.3 mt -59.24 -35.0 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.32 111.138 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -61.64 -52.46 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 71.35 110.863 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -70.77 -26.96 63.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 61.12 110.872 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.2 p -76.86 -27.18 54.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 73.51 110.852 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 363' ' ' LEU . 37.4 mt -94.85 26.57 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 63.44 110.939 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 168.84 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.13 110.865 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 0.965 HD11 HG22 ' B' ' 403' ' ' ILE . 5.7 tp -84.9 -41.0 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 75.13 111.151 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . 0.418 ' N ' HG23 ' A' ' 365' ' ' ILE . 47.6 t0 -89.18 -33.74 16.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.879 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -106.78 36.56 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 65.54 110.857 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.7 tp -54.46 106.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 61.41 110.924 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -132.58 74.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.921 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.769 ' HB ' HD11 ' B' ' 412' ' ' ILE . 18.2 m -51.3 -28.99 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.121 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -51.29 -37.79 49.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.86 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -76.33 -35.45 58.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.846 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 23.6 t -55.6 -57.9 10.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 70.04 110.887 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -53.41 -49.07 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 55.44 111.096 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -51.66 -35.29 41.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.884 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.497 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.94 -51.33 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.121 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 45.9 mt -52.1 -40.9 61.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.3 110.952 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.69 -44.47 96.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 44.25 110.876 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -48.02 83.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 34.12 110.92 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.517 HD21 ' HE3' ' A' ' 396' ' ' MET . 0.7 OUTLIER -52.47 -52.57 53.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 52.31 110.929 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.21 -34.19 63.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 53.33 111.143 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.39 -36.11 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.879 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.46 HD22 HH11 ' A' ' 351' ' ' ARG . 60.7 mt -70.9 123.96 23.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 63.21 110.901 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.96 73.56 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 74.02 110.921 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 23.6 t -71.05 132.31 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 44.12 111.101 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . 0.433 HG22 ' OE1' ' A' ' 389' ' ' GLN . 15.1 t -95.56 172.48 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 72.12 111.179 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -39.15 80.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.825 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -60.56 -46.69 89.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 70.25 110.922 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . 0.433 ' OE1' HG22 ' A' ' 386' ' ' THR . 0.1 OUTLIER -71.07 -44.45 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 70.44 110.908 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.68 -44.0 81.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.34 111.105 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -51.69 -36.41 46.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.891 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.9 -35.21 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 71.12 110.891 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.653 ' CG ' HD23 ' A' ' 352' ' ' LEU . 74.8 m80 -95.42 35.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 70.14 110.842 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.1 p -64.41 -39.4 93.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.35 111.147 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -55.46 -48.12 75.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 65.31 110.862 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.517 ' HE3' HD21 ' A' ' 380' ' ' LEU . 58.5 ttp -55.36 -36.13 65.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 74.31 110.921 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.774 ' HA ' HD12 ' A' ' 400' ' ' LEU . 55.0 mt -68.95 -35.14 67.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 64.34 111.152 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 89.0 m -61.42 -40.22 93.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 71.25 111.119 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.0 m -62.44 -37.44 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 64.32 111.191 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 397' ' ' ILE . 15.2 mt -56.37 -34.82 67.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.889 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -76.16 -28.61 57.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 75.05 110.877 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.53 -35.54 60.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 71.01 110.865 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 0.957 HG22 HD11 ' B' ' 365' ' ' ILE . 36.1 pt -73.47 -1.56 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 75.44 111.15 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -79.61 -33.59 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 64.01 110.889 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.82 -20.14 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.9 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.489 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.43 123.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.04 110.861 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -178.91 140.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.21 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.524 HG22 ' HB ' ' A' ' 412' ' ' ILE . 9.7 p -59.91 143.75 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 43.23 111.105 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 8.0 t -76.49 179.65 5.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.868 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -80.34 -33.61 37.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.923 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.12 -38.28 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.102 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.761 HD11 ' HB ' ' B' ' 370' ' ' VAL . 98.3 mt -67.08 -54.52 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.31 111.15 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 25.6 ptp -59.86 -33.96 72.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 65.12 110.872 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -73.61 -35.89 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.873 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -76.47 -35.71 58.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.0 p -58.15 -47.12 84.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 71.33 110.784 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 32.2 m -53.31 -45.29 68.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 73.02 111.122 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.7 tpt -50.88 -50.32 57.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 71.21 110.884 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.804 HD12 HD12 ' B' ' 380' ' ' LEU . 3.7 mm? -69.51 -44.17 71.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 71.2 110.903 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -54.94 -44.82 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.963 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -72.39 -44.67 62.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 73.14 110.867 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -53.81 -46.84 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.928 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -63.18 -45.22 92.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 74.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -35.88 76.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 63.42 110.91 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -52.92 -34.09 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 44.24 110.866 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 59.2 mtm -85.47 -35.58 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.832 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 65.35 110.893 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.903 0.382 . . . . 65.44 110.822 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -36.98 73.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 74.02 110.91 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -73.44 -39.54 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.86 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -39.54 94.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 65.45 110.868 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -74.69 -34.71 62.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 64.45 110.915 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.825 ' HA ' HD12 ' B' ' 355' ' ' ILE . 12.1 mt -71.51 -47.86 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 63.21 110.891 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -55.76 -28.56 56.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.931 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -76.8 -39.32 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.42 110.891 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.825 HD12 ' HA ' ' B' ' 352' ' ' LEU . 17.7 mt -60.5 -38.37 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.104 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -71.32 -49.84 38.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.823 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.03 99.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 75.04 111.095 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.59 -51.19 67.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.832 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.403 HG23 ' SG ' ' B' ' 373' ' ' CYS . 43.3 mt -59.87 -35.47 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 62.43 111.145 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -61.05 -52.27 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 74.3 110.869 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -70.9 -27.21 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.2 110.888 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.7 p -76.68 -27.41 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.895 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 37.1 mt -94.45 26.3 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 45.15 110.926 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 168.85 9.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 72.41 110.895 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 0.957 HD11 HG22 ' A' ' 403' ' ' ILE . 5.8 tp -84.91 -40.84 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 74.33 111.116 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.42 ' N ' HG23 ' B' ' 365' ' ' ILE . 47.7 t0 -89.37 -33.55 16.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.872 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -106.88 36.56 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 65.1 110.885 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 16.8 tp -54.42 106.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.902 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -132.74 74.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.761 ' HB ' HD11 ' A' ' 412' ' ' ILE . 18.0 m -51.39 -29.04 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 64.02 111.126 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -51.38 -37.61 49.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 73.44 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -76.37 -35.53 58.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 64.21 110.874 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.403 ' SG ' HG23 ' B' ' 359' ' ' ILE . 20.1 t -55.35 -58.04 9.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 61.02 110.902 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.3 -47.62 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 64.33 111.143 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.96 -36.31 49.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.601 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.98 -48.86 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.15 111.11 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.11 -39.66 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 72.3 110.919 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.08 -48.31 80.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 54.03 110.846 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -46.73 79.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 62.51 110.88 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.804 HD12 HD12 ' A' ' 419' ' ' LEU . 0.4 OUTLIER -52.34 -54.93 25.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.916 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.48 64.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.22 111.071 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.62 -36.41 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.33 110.845 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 58.1 mt -72.17 121.56 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 71.02 110.909 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.37 72.32 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 65.43 110.904 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 24.6 t -69.49 132.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 70.11 111.126 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . 0.404 HG22 ' OE1' ' B' ' 389' ' ' GLN . 15.1 t -96.2 172.34 8.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 45.24 111.136 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -38.53 79.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.83 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -60.99 -47.16 87.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.938 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . 0.404 ' OE1' HG22 ' B' ' 386' ' ' THR . 0.1 OUTLIER -70.79 -44.58 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 74.12 110.91 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.05 -44.28 78.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 62.03 111.095 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -51.81 -36.05 46.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.916 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.51 -35.5 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 54.25 110.915 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -95.24 35.6 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.861 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.1 p -63.45 -40.8 98.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 54.13 111.126 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -55.55 -47.31 76.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.901 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . 0.452 ' HE3' HD21 ' B' ' 380' ' ' LEU . 53.9 ttp -55.35 -35.77 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.43 110.855 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.794 ' HA ' HD12 ' B' ' 400' ' ' LEU . 54.7 mt -70.1 -34.84 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.109 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 88.2 m -61.2 -40.08 92.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 55.43 111.137 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.4 m -62.38 -37.95 87.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 71.54 111.145 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' B' ' 397' ' ' ILE . 12.5 mt -55.87 -35.17 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.877 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -76.03 -28.48 57.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 60.31 110.898 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.54 -35.59 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.895 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.965 HG22 HD11 ' A' ' 365' ' ' ILE . 35.7 pt -73.49 -1.62 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 52.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -79.57 -33.39 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.86 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.06 -20.22 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 65.42 110.879 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.468 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -40.25 123.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 70.24 110.925 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -178.81 140.32 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.2 110.937 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.522 HG22 ' HB ' ' B' ' 412' ' ' ILE . 9.8 p -60.21 143.46 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 71.22 111.155 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 7.9 t -76.11 179.45 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 64.22 110.885 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -80.22 -33.72 37.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.914 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.09 -38.37 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.1 111.083 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.769 HD11 ' HB ' ' A' ' 370' ' ' VAL . 98.4 mt -66.87 -54.51 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 71.34 111.102 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.9 ptp -59.67 -33.89 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.904 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -73.8 -36.03 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.881 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -76.23 -34.97 59.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 74.32 110.849 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.8 p -58.89 -48.01 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 61.13 110.864 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 67.9 m -53.3 -44.44 68.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 52.43 111.173 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -51.53 -50.13 60.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.864 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 25.8 mt -71.5 -40.42 70.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 43.52 110.878 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.54 -44.12 84.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 75.05 110.916 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -73.55 -44.13 58.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 72.53 110.933 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -53.43 -47.85 69.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.932 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -62.46 -44.03 97.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 54.34 110.87 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -35.89 78.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 71.03 110.865 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -53.05 -33.54 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 62.42 110.875 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 59.4 mtm -85.56 -35.36 21.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.874 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 71.21 110.885 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.892 0.377 . . . . 60.3 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.12 -36.86 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 71.15 110.845 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.93 -35.82 64.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 75.24 110.817 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.2 -37.6 81.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 64.41 110.861 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -75.21 -34.21 61.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.828 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.597 HD23 ' CG ' ' A' ' 393' ' ' HIS . 0.9 OUTLIER -71.45 -47.64 54.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 73.52 110.876 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -57.76 -30.62 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.882 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -77.12 -43.46 34.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.883 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.593 HG23 ' HB1' ' A' ' 376' ' ' ALA . 76.6 mt -63.55 -39.21 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.14 111.105 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -72.19 -45.07 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 71.44 110.796 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.96 87.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 63.02 111.063 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -54.77 -54.07 46.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 64.34 110.899 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 45.4 mt -55.39 -33.82 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 73.32 111.127 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -61.89 -52.09 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.35 110.922 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -69.56 -29.41 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 61.12 110.896 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 13.3 m -76.13 -26.92 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 73.51 110.822 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 22.6 mt -93.98 26.74 3.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 63.44 110.891 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.73 170.56 7.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 73.13 110.888 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 0.924 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.46 -39.79 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 75.13 111.095 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . 0.403 ' N ' HG23 ' A' ' 365' ' ' ILE . 3.1 p30 -91.02 -33.38 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 72.25 110.922 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -105.4 36.23 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 65.54 110.846 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' B' ' 406' ' ' PHE . 17.8 tp -55.57 107.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 61.41 110.927 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -134.55 76.03 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.908 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.43 HG12 ' CD1' ' B' ' 412' ' ' ILE . 5.3 m -51.42 -29.29 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.32 111.156 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -51.71 -37.73 52.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.911 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -75.98 -35.87 59.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.878 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 35.3 t -55.21 -58.93 5.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 70.04 110.899 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.57 -47.27 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 55.44 111.106 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.79 -36.79 49.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.883 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.593 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -77.15 -50.84 12.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 74.24 111.083 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.417 HD11 HG23 ' B' ' 412' ' ' ILE . 28.9 mt -51.94 -34.46 42.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.912 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 44.25 110.869 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.59 -49.2 78.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 34.12 110.916 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.732 HD12 HD22 ' B' ' 419' ' ' LEU . 1.7 tm? -51.88 -37.16 51.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 52.31 110.924 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.62 -34.6 76.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 53.33 111.092 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 8.4 t -79.05 -33.79 44.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.856 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.04 122.17 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 63.21 110.93 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -76.87 65.44 2.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.939 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -66.46 134.65 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 44.12 111.147 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.5 t -109.34 177.27 4.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 72.12 111.107 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.891 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -51.5 -50.47 59.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 70.25 110.927 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -38.59 63.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 70.44 110.864 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.09 -48.02 74.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 73.34 111.13 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -51.71 -35.79 44.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.911 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -81.47 -35.53 30.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 71.12 110.937 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.597 ' CG ' HD23 ' A' ' 352' ' ' LEU . 73.1 m80 -95.49 35.77 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 70.14 110.845 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.0 p -60.84 -37.54 82.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 63.35 111.145 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -45.34 84.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 65.31 110.872 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 48.4 ttp -55.36 -38.23 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.748 ' HA ' HD12 ' A' ' 400' ' ' LEU . 48.0 mt -69.06 -43.11 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 64.34 111.113 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 34.9 m -54.32 -37.51 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 71.25 111.136 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.8 m -68.07 -42.5 80.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 64.32 111.147 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 397' ' ' ILE . 27.5 mt -52.36 -38.16 58.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 73.43 110.916 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -75.9 -28.75 58.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 75.05 110.895 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -74.94 -36.01 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 71.01 110.911 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 0.975 HG22 HD11 ' B' ' 365' ' ' ILE . 34.3 pt -73.2 -1.53 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 75.44 111.136 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.06 -34.57 43.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.01 110.873 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . 0.428 HH21 HD23 ' B' ' 368' ' ' LEU . 0.0 OUTLIER -121.1 -18.6 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.44 110.872 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.48 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.2 OUTLIER -41.27 121.81 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.936 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -177.95 137.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.13 134.88 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 43.23 111.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 28.4 t -71.73 173.16 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.853 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -73.19 -34.07 65.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 74.23 110.889 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . 0.414 HG13 HG13 ' A' ' 412' ' ' ILE . 4.6 p -53.18 -41.32 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 73.11 111.14 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.442 ' CD1' HG12 ' B' ' 370' ' ' VAL . 98.2 mt -73.68 -49.66 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.129 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 36.2 mtm -55.81 -33.55 64.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 65.12 110.858 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.56 -53.36 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 73.25 110.89 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -59.76 -39.64 85.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.872 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -55.05 -47.67 74.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 71.33 110.847 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 24.8 m -57.16 -46.84 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 73.02 111.145 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 12.9 ttp -53.82 -42.25 68.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 71.21 110.851 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.642 HD22 HD12 ' B' ' 380' ' ' LEU . 57.1 mt -74.22 -44.75 51.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.958 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -56.06 -47.65 77.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.921 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -63.07 -40.99 99.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 73.14 110.893 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -53.56 -51.47 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.903 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.629 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 19.4 m-85 -66.53 -35.1 79.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 74.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -61.23 -37.47 83.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 63.42 110.895 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.05 -39.82 95.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 44.24 110.906 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 8.7 mtm -74.87 -32.85 61.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.9 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 65.35 110.887 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.899 0.381 . . . . 65.44 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.37 -35.79 60.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 74.02 110.89 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.78 -35.78 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 75.42 110.879 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -37.97 81.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 65.45 110.871 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -74.87 -33.62 62.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 64.45 110.837 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.419 HD23 ' CG ' ' B' ' 393' ' ' HIS . 1.4 mp -74.18 -33.24 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 63.21 110.956 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.56 -35.14 72.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 64.41 110.897 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -77.05 -38.32 52.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.871 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.554 HG23 ' HB1' ' B' ' 376' ' ' ALA . 60.8 mt -66.07 -40.81 88.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 75.43 111.156 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -72.05 -41.57 67.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.841 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.98 77.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.04 111.102 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -55.1 -51.22 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.901 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.432 HG22 HD12 ' B' ' 363' ' ' LEU . 42.7 mt -57.79 -33.53 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 62.43 111.16 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -62.59 -52.07 64.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 74.3 110.928 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -69.4 -30.28 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.2 110.907 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 14.3 m -76.06 -26.62 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.832 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.432 HD12 HG22 ' B' ' 359' ' ' ILE . 21.4 mt -94.11 26.72 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 45.15 110.957 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.1 171.3 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.925 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 0.975 HD11 HG22 ' A' ' 403' ' ' ILE . 5.7 tp -84.57 -39.7 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.33 111.101 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.401 ' N ' HG23 ' B' ' 365' ' ' ILE . 3.0 p30 -91.61 -32.97 15.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.879 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -105.01 36.31 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 65.1 110.904 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 406' ' ' PHE . 17.1 tp -56.0 107.5 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.24 110.907 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -135.08 76.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.891 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.442 HG12 ' CD1' ' A' ' 412' ' ' ILE . 5.6 m -51.98 -28.89 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 64.02 111.077 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.61 -38.5 54.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.888 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -75.95 -35.41 59.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 64.21 110.868 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.42 ' SG ' HG23 ' B' ' 359' ' ' ILE . 20.1 t -54.64 -59.89 4.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 61.02 110.901 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.5 -45.55 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 64.33 111.112 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.15 -37.55 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.554 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.98 -50.12 13.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 73.15 111.094 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . 0.424 HD11 HG23 ' A' ' 412' ' ' ILE . 29.4 mt -51.98 -34.31 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.959 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.95 -48.94 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 54.03 110.862 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -58.5 -50.55 73.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 62.51 110.897 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.655 HD13 ' O ' ' B' ' 380' ' ' LEU . 1.3 tm? -52.41 -37.43 56.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.924 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.19 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 71.22 111.108 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 8.4 t -79.96 -34.16 38.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 63.33 110.852 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.6 mt -65.37 123.94 20.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 71.02 110.918 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -77.76 73.24 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 65.43 110.944 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.96 141.24 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 70.11 111.087 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . 0.43 HG23 ' H ' ' B' ' 389' ' ' GLN . 14.9 t -116.02 173.08 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 45.24 111.162 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -39.98 96.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.904 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.75 -50.32 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.95 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . 0.43 ' H ' HG23 ' B' ' 386' ' ' THR . 0.0 OUTLIER -73.25 -38.72 65.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.12 110.911 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -54.81 -48.43 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 62.03 111.065 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.99 -35.81 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.879 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -81.37 -35.63 30.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 54.25 110.895 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . 0.419 ' CG ' HD23 ' B' ' 352' ' ' LEU . 71.4 m80 -95.38 35.52 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.851 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 3.5 p -60.77 -37.42 81.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 54.13 111.117 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -46.39 81.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 74.34 110.902 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 44.3 ttp -55.25 -36.55 66.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.897 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.723 ' HA ' HD12 ' B' ' 400' ' ' LEU . 22.3 mt -70.13 -43.11 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.119 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 33.1 m -56.3 -36.62 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 55.43 111.122 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.0 m -67.83 -43.38 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 71.54 111.152 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' B' ' 397' ' ' ILE . 18.7 mt -53.1 -36.71 61.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.923 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -76.29 -28.69 57.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 60.31 110.859 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -75.55 -35.38 60.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 72.14 110.9 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.924 HG22 HD11 ' A' ' 365' ' ' ILE . 35.7 pt -73.35 -1.58 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 52.0 111.168 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -79.17 -34.35 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 71.35 110.865 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . 0.413 HH21 HD23 ' A' ' 368' ' ' LEU . 0.0 OUTLIER -120.87 -18.15 7.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.896 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.515 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -41.16 121.94 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 70.24 110.864 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -177.8 138.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 62.2 110.917 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.05 134.51 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 71.22 111.095 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.1 t -71.36 172.02 10.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 64.22 110.865 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -72.18 -34.29 68.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.906 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.01 -41.84 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 73.1 111.145 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.43 ' CD1' HG12 ' A' ' 370' ' ' VAL . 97.9 mt -73.06 -49.96 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 71.34 111.128 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 36.6 mtm -55.62 -33.86 64.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.871 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.32 -53.3 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.881 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -59.66 -40.22 87.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.913 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.3 p -55.0 -46.54 75.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 61.13 110.869 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 25.0 m -58.18 -46.75 85.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 52.43 111.156 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 12.9 ttp -54.28 -41.81 69.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.898 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.732 HD22 HD12 ' A' ' 380' ' ' LEU . 51.6 mt -74.36 -45.07 49.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 43.52 110.888 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -55.56 -47.28 76.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.911 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -61.74 -39.65 92.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -55.04 -51.59 65.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 71.45 110.864 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.452 ' HB3' HD13 ' A' ' 397' ' ' ILE . 74.1 m-85 -65.91 -31.88 73.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 54.34 110.843 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -67.05 -35.0 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 71.03 110.922 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -64.77 -43.7 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 62.42 110.878 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.1 ptp -73.97 -31.79 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.866 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 71.21 110.895 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.841 0.353 . . . . 60.3 110.816 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.61 -38.44 64.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 71.15 110.862 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -73.43 -35.75 65.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.24 110.915 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.16 -36.58 79.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 64.41 110.876 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . 0.491 HH11 HD22 ' A' ' 383' ' ' LEU . 8.5 ptp180 -77.57 -33.54 53.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 74.54 110.848 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 352' ' ' LEU . 18.9 mt -75.03 -40.74 60.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.892 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.07 -35.36 79.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.897 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -77.28 -35.33 55.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 75.43 110.857 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 26.8 mt -62.34 -42.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.114 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -72.11 -45.38 60.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.881 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.62 99.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 63.02 111.129 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -54.98 -42.37 72.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 64.34 110.903 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.542 HG22 HD12 ' A' ' 363' ' ' LEU . 38.8 mt -66.06 -34.19 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 73.32 111.153 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -58.79 -52.12 67.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.933 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -70.38 -33.58 71.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 61.12 110.895 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 9.6 p -74.66 -10.62 59.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 73.51 110.858 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.542 HD12 HG22 ' A' ' 359' ' ' ILE . 31.5 mt -113.23 26.44 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 63.44 110.926 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.79 169.76 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.884 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 0.997 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.29 -38.66 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 75.13 111.151 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -91.7 -31.96 15.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 72.25 110.858 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -109.76 36.35 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 65.54 110.864 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' B' ' 406' ' ' PHE . 18.7 tp -53.69 107.32 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 61.41 110.885 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -132.03 80.9 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 74.15 110.843 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' B' ' 412' ' ' ILE . 11.3 m -59.28 -27.16 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.32 111.125 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -51.72 -40.19 59.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 71.21 110.904 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -35.17 59.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.833 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 359' ' ' ILE . 13.3 t -53.42 -57.58 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 70.04 110.858 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.58 -49.69 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 55.44 111.147 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.89 -34.17 39.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.9 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.87 -53.96 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.067 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.7 mt -52.09 -42.7 63.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 72.3 110.907 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -48.97 77.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 44.25 110.86 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -44.95 82.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 34.12 110.875 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.743 HD12 HD12 ' B' ' 419' ' ' LEU . 0.9 OUTLIER -51.97 -54.16 33.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 52.31 110.898 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.08 -33.94 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 53.33 111.108 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 58.0 m -71.97 -36.85 69.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.818 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.491 HD22 HH11 ' A' ' 351' ' ' ARG . 61.2 mt -69.78 116.29 10.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 63.21 110.916 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -75.23 72.12 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.02 110.898 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -83.12 143.56 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 44.12 111.118 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.3 t -104.91 170.01 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 72.12 111.117 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.65 -37.15 58.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.857 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -51.89 -57.93 7.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 70.25 110.903 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -61.16 -35.5 77.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 70.44 110.96 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.97 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.099 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.32 -38.44 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.25 110.914 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -85.32 -33.45 22.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 71.12 110.936 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -96.39 35.54 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.813 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.76 ' HA ' HD12 ' A' ' 397' ' ' ILE . 1.4 p -61.67 -35.12 77.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 63.35 111.161 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -46.03 87.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 65.31 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.418 ' HE3' HD21 ' A' ' 380' ' ' LEU . 48.4 ttp -55.3 -37.51 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 74.31 110.91 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.804 ' HA ' HD12 ' A' ' 400' ' ' LEU . 5.9 mt -70.26 -42.99 78.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 64.34 111.1 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 85.9 m -54.41 -40.17 67.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 71.25 111.081 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 65.9 m -64.93 -42.3 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 64.32 111.176 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 397' ' ' ILE . 16.1 mt -52.46 -36.19 54.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.924 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -28.84 57.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.05 110.887 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -75.88 -36.0 59.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 71.01 110.886 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 0.986 HG22 HD11 ' B' ' 365' ' ' ILE . 37.3 pt -72.97 -1.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 75.44 111.153 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.89 -34.3 44.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 64.01 110.892 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 -19.4 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.903 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.492 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -40.25 118.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.887 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.87 134.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.921 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.402 HG22 ' HB ' ' A' ' 412' ' ' ILE . 9.9 p -60.6 134.61 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 43.23 111.123 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 22.9 t -69.94 172.38 7.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.88 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -73.68 -34.64 64.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.918 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . 0.483 HG22 ' HD2' ' A' ' 415' ' ' LYS . 5.9 p -54.82 -39.76 49.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 73.11 111.118 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.641 HD11 ' HB ' ' B' ' 370' ' ' VAL . 89.2 mt -74.2 -44.52 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.31 111.145 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.2 mtm -61.1 -42.82 99.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 65.12 110.883 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.98 -33.66 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.901 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.483 ' HD2' HG22 ' A' ' 411' ' ' VAL . 26.8 mttp -74.11 -34.85 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 75.21 110.905 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.9 p -62.17 -47.37 84.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 71.33 110.892 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 46.1 m -52.42 -42.9 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 73.02 111.105 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 6.1 tpt -51.69 -52.35 48.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 71.21 110.884 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.778 HD12 HD12 ' B' ' 380' ' ' LEU . 3.5 mm? -69.31 -42.35 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 71.2 110.944 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -55.04 -47.8 74.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 74.23 110.93 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -71.84 -35.67 69.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.92 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -59.02 -45.49 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.914 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.403 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 27.2 m-85 -75.37 -36.16 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -66.69 -35.13 79.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 63.42 110.881 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.68 -35.58 70.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 44.24 110.87 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 53.8 mtm -85.95 -32.66 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.848 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.501 ' HA ' ' HE1' ' B' ' 387' ' ' MET . 3.2 m-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 65.35 110.89 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.889 0.376 . . . . 65.44 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.14 -37.75 62.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 74.02 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -73.4 -35.53 65.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.899 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.33 -37.92 77.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 65.45 110.82 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -74.94 -37.09 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 64.45 110.847 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.628 ' HA ' HD12 ' B' ' 355' ' ' ILE . 29.6 mt -71.51 -47.57 54.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 63.21 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.85 -30.93 64.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.41 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -76.72 -40.86 47.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.42 110.822 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.7 mt -60.51 -40.27 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 75.43 111.124 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -71.88 -50.12 32.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.839 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.1 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 75.04 111.098 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -54.94 -42.26 72.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.929 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.534 HG22 HD12 ' B' ' 363' ' ' LEU . 30.6 mt -65.69 -34.93 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 62.43 111.131 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -58.15 -52.06 67.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 74.3 110.892 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -70.32 -33.61 71.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.2 110.892 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.5 p -74.62 -10.55 59.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.871 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.534 HD12 HG22 ' B' ' 359' ' ' ILE . 32.0 mt -113.5 26.34 10.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 45.15 110.924 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.78 169.82 13.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.912 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 0.986 HD11 HG22 ' A' ' 403' ' ' ILE . 5.8 tp -84.33 -38.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.164 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.87 -31.96 15.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 64.14 110.882 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -109.7 36.3 3.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 65.1 110.909 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' A' ' 406' ' ' PHE . 18.4 tp -53.71 107.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -131.92 80.76 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.869 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.641 ' HB ' HD11 ' A' ' 412' ' ' ILE . 11.5 m -59.12 -27.3 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 64.02 111.13 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -51.72 -40.28 59.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.867 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -34.81 59.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 64.21 110.862 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.422 ' SG ' HG23 ' B' ' 359' ' ' ILE . 12.2 t -53.42 -57.84 9.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 61.02 110.903 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.46 -48.7 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 64.33 111.147 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.79 -35.3 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.495 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.59 -53.54 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 73.15 111.106 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 4.7 mt -52.17 -42.64 63.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.934 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -47.38 84.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 54.03 110.849 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.5 -45.25 85.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 62.51 110.886 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.778 HD12 HD12 ' A' ' 419' ' ' LEU . 0.8 OUTLIER -52.21 -54.46 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.925 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.16 -33.94 65.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 71.22 111.131 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 58.1 m -72.84 -36.57 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 63.33 110.84 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 63.8 mt -70.08 116.52 10.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 71.02 110.915 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -75.63 71.35 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 65.43 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -82.96 142.56 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 70.11 111.158 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.4 t -103.11 170.76 7.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 45.24 111.185 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . 0.501 ' HE1' ' HA ' ' A' ' 427' ' ' PHE . 0.5 OUTLIER -54.07 -36.95 63.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.31 110.879 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -51.85 -54.68 26.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.94 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.12 -35.99 82.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.48 94.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 62.03 111.104 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.39 -35.98 41.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.928 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -87.29 -33.62 19.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 54.25 110.917 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -98.24 35.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.865 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.777 ' HA ' HD12 ' B' ' 397' ' ' ILE . 1.3 p -61.02 -35.55 77.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 54.13 111.14 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -45.37 86.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.864 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 48.0 ttp -55.43 -38.03 68.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.819 ' HA ' HD12 ' B' ' 400' ' ' LEU . 6.2 mt -69.45 -43.06 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 71.44 111.153 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 85.5 m -54.49 -40.36 68.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 55.43 111.121 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.2 m -64.81 -42.34 95.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 71.54 111.129 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' B' ' 397' ' ' ILE . 16.4 mt -52.49 -36.38 54.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.903 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -28.87 58.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 60.31 110.927 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -75.84 -36.01 59.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.871 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.997 HG22 HD11 ' A' ' 365' ' ' ILE . 37.4 pt -72.89 -1.66 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 52.0 111.182 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -78.85 -34.4 45.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.862 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -19.41 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.882 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.499 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.35 118.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.24 110.859 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -174.99 134.34 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 62.2 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.402 HG22 ' HB ' ' B' ' 412' ' ' ILE . 9.9 p -60.17 134.66 25.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 71.22 111.132 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 22.7 t -70.07 172.19 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 64.22 110.828 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -73.31 -35.13 66.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.953 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . 0.484 HG22 ' HD2' ' B' ' 415' ' ' LYS . 6.0 p -54.41 -39.7 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 73.1 111.163 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' A' ' 370' ' ' VAL . 89.4 mt -74.19 -44.57 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 71.34 111.137 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.2 mtm -60.99 -42.66 98.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.872 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.11 -33.77 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.93 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . 0.484 ' HD2' HG22 ' B' ' 411' ' ' VAL . 27.0 mttp -74.07 -34.59 64.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.911 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.6 p -62.42 -47.43 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 61.13 110.846 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 47.0 m -52.45 -42.62 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 52.43 111.137 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 6.0 tpt -51.82 -52.3 50.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.891 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.743 HD12 HD12 ' A' ' 380' ' ' LEU . 3.5 mm? -69.47 -42.36 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 43.52 110.873 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -54.95 -48.1 73.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.923 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -71.43 -36.61 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 72.53 110.877 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -58.49 -45.18 89.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 71.45 110.901 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -75.27 -37.19 61.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 54.34 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -65.61 -34.98 79.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 71.03 110.92 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.86 -35.16 68.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.42 110.903 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 54.5 mtm -85.97 -33.39 21.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.908 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.872 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.913 0.387 . . . . 60.3 110.856 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.3 ttm -57.15 -36.68 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 71.15 110.87 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -73.74 -35.65 65.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.24 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -38.34 84.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 64.41 110.861 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -74.71 -33.49 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.887 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.12 -32.86 63.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.887 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.6 -34.72 72.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.923 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -77.32 -36.02 54.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.882 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 31.7 mt -60.99 -43.01 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.11 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -72.59 -45.37 59.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.889 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.07 93.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 63.02 111.068 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.82 -45.09 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 64.34 110.911 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.45 -34.17 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.117 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -52.74 -52.23 57.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 71.35 110.897 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -75.04 -26.66 59.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 61.12 110.846 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.4 p -79.03 -2.73 41.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.51 110.904 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 43.8 mt -121.5 25.86 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 63.44 110.938 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -69.18 169.97 11.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.894 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 1.039 HD11 HG22 ' B' ' 403' ' ' ILE . 6.1 tp -84.32 -39.8 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.13 111.129 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . 0.412 ' N ' HG23 ' A' ' 365' ' ' ILE . 5.0 p-10 -92.83 -31.41 15.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.881 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -111.26 36.51 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 65.54 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 21.6 tp -53.28 107.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 61.41 110.905 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -125.71 74.29 1.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 74.15 110.875 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.774 ' HB ' HD11 ' B' ' 412' ' ' ILE . 16.6 m -57.86 -28.59 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 73.32 111.122 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -52.09 -39.96 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 71.21 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -33.23 60.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.871 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 45.7 t -53.1 -58.98 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 70.04 110.883 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.72 -47.48 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 55.44 111.121 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.57 -35.38 41.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.11 110.925 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.0 -53.91 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 74.24 111.112 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 18.4 mt -52.23 -36.03 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.928 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -62.84 -46.08 89.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 44.25 110.897 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -46.4 90.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 34.12 110.902 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.546 ' O ' HD13 ' A' ' 380' ' ' LEU . 1.0 OUTLIER -52.59 -43.89 65.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 52.31 110.913 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -61.66 -34.51 75.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 53.33 111.063 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -36.01 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.853 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 63.5 mt -68.06 109.32 3.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 63.21 110.866 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -77.4 61.64 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.91 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -70.19 140.81 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 44.12 111.137 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -92.89 173.15 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.12 111.146 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -35.51 76.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.843 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -55.12 -56.46 19.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 70.25 110.903 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.43 -39.35 65.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.81 -51.28 68.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.34 111.091 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 394' ' ' THR . 1.4 mt-30 -52.36 -37.8 57.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 75.25 110.891 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -66.47 -33.98 76.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.892 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -94.91 35.68 1.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 70.14 110.861 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 391' ' ' GLN . 0.7 OUTLIER -51.44 -34.56 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 63.35 111.131 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.57 -48.45 74.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 65.31 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 24.1 ttp -55.28 -56.23 22.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.31 110.884 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.1 mt -52.24 -43.09 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 64.34 111.125 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 56.7 m -55.53 -39.44 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 71.25 111.121 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 90.5 m -68.14 -39.07 82.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 64.32 111.077 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 397' ' ' ILE . 27.4 mt -54.6 -36.95 64.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 73.43 110.866 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -76.64 -28.74 56.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 75.05 110.875 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -75.68 -33.8 60.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.01 110.883 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.017 HG22 HD11 ' B' ' 365' ' ' ILE . 36.4 pt -75.14 -2.27 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 75.44 111.187 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -77.66 -34.07 53.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 64.01 110.869 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.1 -14.31 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.44 110.839 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.65 ' CE2' HD13 ' B' ' 368' ' ' LEU . 11.5 t80 -45.56 108.55 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 75.04 110.876 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -166.31 139.58 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.21 110.901 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 6.1 p -61.21 131.14 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 43.23 111.125 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 16.8 t -61.33 177.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.868 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.22 -40.2 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.913 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.1 -39.87 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.11 111.077 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.696 HD11 ' HB ' ' B' ' 370' ' ' VAL . 96.0 mt -64.25 -54.48 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.31 111.122 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 17.7 ptp -62.3 -31.47 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 65.12 110.892 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -74.95 -37.69 61.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 73.25 110.898 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -73.96 -38.73 64.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.868 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . 0.402 ' HB2' HD11 ' B' ' 403' ' ' ILE . 63.2 p -55.08 -48.76 73.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.856 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . 0.596 HG22 ' OD1' ' A' ' 421' ' ' ASN . 57.9 m -52.81 -42.67 65.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 73.02 111.152 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -51.08 64.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 71.21 110.819 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.91 -36.91 72.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -60.08 -42.7 95.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.927 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.596 ' OD1' HG22 ' A' ' 417' ' ' THR . 23.2 m120 -72.25 -41.41 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 73.14 110.921 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.65 -51.59 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.884 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -69.7 -36.83 76.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -60.42 -40.82 92.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -58.41 -34.45 70.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 44.24 110.934 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 38.2 mtm -85.47 -34.71 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.876 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.537 ' CZ ' HD13 ' B' ' 397' ' ' ILE . 2.8 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.888 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.887 0.375 . . . . 65.44 110.865 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.3 ttm -56.67 -36.89 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 74.02 110.911 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -73.66 -34.86 65.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 75.42 110.823 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -38.5 80.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 65.45 110.829 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -74.28 -34.78 63.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 64.45 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.53 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.0 OUTLIER -70.64 -47.44 60.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 63.21 110.868 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -59.0 -30.41 67.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 64.41 110.886 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -76.14 -42.03 48.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.42 110.931 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.9 mt -59.71 -39.33 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.43 111.116 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -72.09 -50.76 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.846 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.08 88.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.04 111.11 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.89 -44.05 73.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.888 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.3 mt -68.69 -34.53 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 62.43 111.181 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -51.8 -52.05 51.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.3 110.876 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -75.07 -26.83 59.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.847 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -77.5 -4.01 43.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.842 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 53.9 mt -121.2 25.92 9.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 45.15 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.04 170.42 8.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.902 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.017 HD11 HG22 ' A' ' 403' ' ' ILE . 6.1 tp -84.98 -39.53 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.146 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.404 ' N ' HG23 ' B' ' 365' ' ' ILE . 4.9 p-10 -93.01 -31.33 14.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 64.14 110.863 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -111.48 36.67 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 65.1 110.891 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.65 HD13 ' CE2' ' A' ' 406' ' ' PHE . 20.6 tp -53.12 107.11 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 73.24 110.915 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -126.8 77.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.878 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.696 ' HB ' HD11 ' A' ' 412' ' ' ILE . 8.1 m -59.99 -27.04 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.02 111.091 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -51.87 -39.97 59.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.879 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -33.25 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 64.21 110.872 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 47.6 t -53.19 -59.11 4.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 61.02 110.864 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.8 mt -53.73 -47.13 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 64.33 111.191 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.88 -35.65 45.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 75.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.502 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.89 -53.55 7.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 73.15 111.074 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.1 -35.82 49.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.49 -42.7 95.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 54.03 110.886 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -47.89 80.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 62.51 110.896 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.501 HD13 ' O ' ' B' ' 380' ' ' LEU . 0.8 OUTLIER -52.4 -45.85 66.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 72.31 110.9 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.66 72.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 71.22 111.086 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -36.21 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 63.33 110.859 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.14 109.4 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 71.02 110.922 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -77.37 61.85 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 65.43 110.91 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -70.34 140.31 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 70.11 111.149 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -92.25 173.1 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 45.24 111.117 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -35.72 77.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.847 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -55.06 -55.89 25.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.91 -38.27 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.919 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.58 -51.1 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 62.03 111.082 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . 0.58 ' O ' HG23 ' B' ' 394' ' ' THR . 1.4 mt-30 -52.7 -36.62 57.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 71.43 110.883 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -66.58 -34.98 79.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 54.25 110.891 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -95.09 35.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.872 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.58 HG23 ' O ' ' B' ' 391' ' ' GLN . 0.7 OUTLIER -51.73 -34.86 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 54.13 111.12 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.42 -47.09 76.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.34 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 26.6 ttp -55.9 -56.64 18.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.859 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.78 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.0 mt -51.81 -43.11 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 71.44 111.114 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 56.1 m -55.43 -38.17 68.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 55.43 111.128 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 89.5 m -69.62 -39.58 77.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 71.54 111.128 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.78 HD12 ' HA ' ' B' ' 397' ' ' ILE . 22.9 mt -53.99 -36.15 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.953 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -76.53 -29.07 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 60.31 110.885 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -75.48 -34.42 60.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.14 110.944 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 1.039 HG22 HD11 ' A' ' 365' ' ' ILE . 38.9 pt -74.92 -1.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 52.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -82.55 -32.3 28.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 71.35 110.871 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.88 -20.2 8.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 65.42 110.925 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.466 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -41.57 118.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 70.24 110.89 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -175.28 140.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 62.2 110.921 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.93 127.66 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 71.22 111.124 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 14.8 t -58.45 170.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 64.22 110.819 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.03 -35.3 76.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 73.33 110.887 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.5 p -60.04 -39.71 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.1 111.093 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.774 HD11 ' HB ' ' A' ' 370' ' ' VAL . 80.9 mt -64.2 -54.13 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.34 111.097 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.2 ptp -64.61 -31.62 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.878 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.39 -40.52 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.867 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -72.78 -38.35 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.903 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . 0.434 ' HB2' HD11 ' A' ' 403' ' ' ILE . 60.7 p -55.09 -49.67 71.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 61.13 110.871 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 90.6 m -52.68 -42.5 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 52.43 111.136 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -51.99 61.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 74.22 110.894 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 66.4 mt -69.99 -38.29 75.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 43.52 110.921 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -57.99 -44.57 87.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 75.05 110.939 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.01 -41.01 71.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 72.53 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -51.04 64.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.863 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -70.99 -37.07 72.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 54.34 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -59.87 -40.66 89.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 71.03 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -58.43 -34.41 70.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 62.42 110.878 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.4 mtm -85.99 -33.97 20.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.861 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . 0.603 ' CZ ' HD13 ' A' ' 397' ' ' ILE . 2.9 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 71.21 110.874 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.838 0.351 . . . . 60.3 110.845 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -39.05 64.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 71.15 110.898 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.34 -34.72 65.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.903 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 8.6 t -66.47 -39.7 88.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 64.41 110.871 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -33.36 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.904 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.609 HD23 ' CG ' ' A' ' 393' ' ' HIS . 0.9 OUTLIER -70.45 -47.64 59.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 73.52 110.876 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -57.6 -30.94 65.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.902 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -77.43 -42.15 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.889 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.525 HG23 ' HB1' ' A' ' 376' ' ' ALA . 19.3 mt -59.41 -41.67 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.079 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -72.09 -49.15 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 71.44 110.865 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.45 93.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 63.02 111.103 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.82 -54.03 47.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 64.34 110.842 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.413 HG22 HD12 ' A' ' 363' ' ' LEU . 44.1 mt -56.26 -33.81 38.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.32 111.112 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -61.91 -52.21 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.877 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.69 -31.19 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 61.12 110.901 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 16.3 m -74.48 -26.72 60.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 73.51 110.854 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.413 HD12 HG22 ' A' ' 359' ' ' ILE . 21.2 mt -93.96 26.71 3.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.936 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.98 171.03 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.869 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 0.947 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.43 -39.14 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.13 111.143 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -92.17 -32.09 15.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 72.25 110.856 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -105.96 36.33 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 65.54 110.876 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' B' ' 406' ' ' PHE . 17.5 tp -55.96 107.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 61.41 110.946 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.83 75.68 1.59 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.239 -0.437 . . . . 74.15 110.848 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.544 ' O ' HD12 ' A' ' 374' ' ' ILE . 5.9 m -51.56 -28.95 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 73.32 111.152 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -51.75 -38.29 54.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 71.21 110.884 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -76.11 -35.33 59.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.85 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.401 ' SG ' HG23 ' A' ' 359' ' ' ILE . 25.9 t -54.84 -59.51 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 70.04 110.851 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 370' ' ' VAL . 2.7 mp -53.28 -46.16 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 55.44 111.131 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.77 -36.66 48.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 74.11 110.935 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.525 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -77.09 -51.51 10.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 74.24 111.096 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.41 HD11 HG23 ' B' ' 412' ' ' ILE . 22.1 mt -51.88 -35.42 45.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 72.3 110.92 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -61.7 -46.67 88.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 44.25 110.875 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -61.86 -47.28 85.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 34.12 110.84 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.786 HD12 HD22 ' B' ' 419' ' ' LEU . 1.5 tm? -52.41 -45.15 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 52.31 110.935 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -64.0 -34.66 78.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 53.33 111.106 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -36.28 63.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 74.33 110.863 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.44 116.1 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 63.21 110.911 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.21 62.48 2.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 74.02 110.903 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.26 138.81 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 44.12 111.133 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -98.85 173.82 6.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 72.12 111.126 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.19 -38.37 79.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 74.23 110.919 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -55.18 -56.96 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 70.25 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -67.07 -38.82 86.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.928 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.98 -45.11 91.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 73.34 111.114 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . 0.593 ' O ' HG23 ' A' ' 394' ' ' THR . 3.1 mt-30 -51.84 -36.13 47.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.876 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -75.76 -35.67 60.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.912 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.609 ' CG ' HD23 ' A' ' 352' ' ' LEU . 75.9 m80 -95.5 35.51 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 70.14 110.904 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.804 ' HA ' HD12 ' A' ' 397' ' ' ILE . 2.8 p -56.8 -36.66 70.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 63.35 111.217 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -46.89 81.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 65.31 110.896 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -55.43 -36.1 66.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.882 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 394' ' ' THR . 10.1 mt -69.97 -39.89 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 64.34 111.14 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 55.3 m -58.51 -42.82 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 71.25 111.167 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -61.96 -38.46 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 64.32 111.153 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 397' ' ' ILE . 21.4 mt -56.79 -35.89 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.937 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -76.09 -28.59 57.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.908 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -75.47 -35.6 60.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 71.01 110.856 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 0.972 HG22 HD11 ' B' ' 365' ' ' ILE . 35.5 pt -73.29 -1.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.44 111.146 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -79.0 -34.43 44.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 64.01 110.867 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.14 -18.81 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.867 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.486 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.2 OUTLIER -40.8 118.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.04 110.865 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -174.56 135.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.917 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.49 132.86 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 43.23 111.11 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 30.1 t -69.7 172.77 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.886 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.25 -33.74 65.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 74.23 110.918 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . 0.409 HG13 HG13 ' A' ' 412' ' ' ILE . 4.3 p -53.13 -41.81 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.11 111.122 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.446 HD11 ' HB ' ' B' ' 370' ' ' VAL . 96.6 mt -73.72 -48.87 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 74.31 111.176 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 12.7 mtm -56.14 -34.23 65.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 65.12 110.883 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.16 -53.13 13.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.931 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -59.93 -40.95 90.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.907 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 93.1 p -54.94 -43.34 73.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.905 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 16.9 m -59.25 -52.78 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 73.02 111.185 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -42.5 41.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.904 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.718 HD22 HD12 ' B' ' 380' ' ' LEU . 55.2 mt -75.35 -35.15 61.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.901 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -58.92 -63.28 1.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.959 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -61.15 -33.39 73.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.14 110.893 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -53.06 -45.77 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.905 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.509 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 47.7 m-85 -75.36 -49.91 17.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 74.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -52.08 -37.99 55.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 63.42 110.894 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -51.9 -35.45 45.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 44.24 110.856 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 57.0 mtm -85.39 -35.27 21.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.856 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 65.35 110.913 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.84 0.353 . . . . 65.44 110.78 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -37.14 61.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 74.02 110.862 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.99 -33.4 63.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 8.5 t -68.85 -37.25 79.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 65.45 110.845 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -32.49 57.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 64.45 110.886 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.51 HD23 ' CG ' ' B' ' 393' ' ' HIS . 1.0 OUTLIER -74.24 -41.38 61.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 63.21 110.891 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -63.1 -36.05 82.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 64.41 110.908 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -76.97 -36.32 56.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.838 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.465 HG23 ' HB1' ' B' ' 376' ' ' ALA . 28.7 mt -63.14 -42.61 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.43 111.121 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -72.09 -43.89 64.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.86 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 75.04 111.071 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.05 -52.19 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 74.45 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.434 HG22 HD12 ' B' ' 363' ' ' LEU . 42.0 mt -57.89 -33.61 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 62.43 111.155 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -62.27 -52.27 64.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 74.3 110.944 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.93 -31.3 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 15.8 m -74.6 -26.78 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.843 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.434 HD12 HG22 ' B' ' 359' ' ' ILE . 21.4 mt -93.73 26.67 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 45.15 110.91 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.13 171.05 7.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.887 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 0.972 HD11 HG22 ' A' ' 403' ' ' ILE . 5.7 tp -84.41 -38.92 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.112 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.53 -31.98 15.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 64.14 110.844 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -105.85 36.42 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 65.1 110.909 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 406' ' ' PHE . 17.5 tp -56.11 107.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.914 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.95 75.62 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.845 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.538 ' O ' HD12 ' B' ' 374' ' ' ILE . 6.2 m -51.51 -29.13 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 64.02 111.1 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -51.63 -38.29 54.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.909 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -76.13 -35.46 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 64.21 110.878 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.415 ' SG ' HG23 ' B' ' 359' ' ' ILE . 29.5 t -54.55 -59.02 5.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 61.02 110.895 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.538 HD12 ' O ' ' B' ' 370' ' ' VAL . 2.7 mp -53.41 -44.81 56.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 64.33 111.147 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.96 -37.28 52.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.465 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.99 -51.01 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.15 111.124 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 19.8 mt -52.07 -35.52 47.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.93 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -63.03 -46.66 86.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 54.03 110.924 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -61.03 -47.23 87.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 62.51 110.9 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.718 HD12 HD22 ' A' ' 419' ' ' LEU . 1.2 tm? -52.61 -49.2 65.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 72.31 110.887 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.88 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.081 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -36.62 63.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 63.33 110.821 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.28 116.66 6.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 71.02 110.895 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.97 61.16 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 65.43 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.34 138.38 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.11 111.121 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -98.2 173.82 6.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 45.24 111.134 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.25 -38.41 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.31 110.887 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -55.19 -56.56 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.97 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -67.22 -38.44 85.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.945 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.38 -44.86 92.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 62.03 111.089 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . 0.593 ' O ' HG23 ' B' ' 394' ' ' THR . 3.2 mt-30 -51.77 -36.0 45.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.922 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -75.87 -35.91 59.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 54.25 110.912 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . 0.51 ' CG ' HD23 ' B' ' 352' ' ' LEU . 74.3 m80 -95.57 35.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.855 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.811 ' HA ' HD12 ' B' ' 397' ' ' ILE . 3.0 p -57.02 -35.69 69.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 54.13 111.131 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.51 -46.35 83.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.92 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -55.8 -36.2 67.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 75.43 110.885 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' B' ' 394' ' ' THR . 9.6 mt -69.68 -39.85 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 71.44 111.141 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 52.6 m -59.47 -41.53 89.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 55.43 111.116 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.7 m -63.51 -36.1 82.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 71.54 111.126 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' B' ' 397' ' ' ILE . 27.6 mt -58.95 -36.05 74.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.908 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -75.95 -28.82 58.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 60.31 110.871 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -74.89 -35.97 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 72.14 110.882 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.947 HG22 HD11 ' A' ' 365' ' ' ILE . 33.6 pt -73.38 -1.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 52.0 111.159 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -79.22 -34.37 42.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.83 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.11 -18.78 7.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 65.42 110.842 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.504 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.2 OUTLIER -40.9 119.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 70.24 110.935 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -174.63 135.77 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 62.2 110.879 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 13.5 p -62.58 132.45 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 71.22 111.112 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 31.4 t -69.12 172.65 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 64.22 110.834 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.29 -33.8 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 73.33 110.892 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . 0.406 HG13 HG13 ' B' ' 412' ' ' ILE . 4.4 p -53.13 -41.66 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 73.1 111.142 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.445 HD11 ' HB ' ' A' ' 370' ' ' VAL . 96.9 mt -73.71 -48.55 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 71.34 111.116 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.6 mtm -56.68 -33.8 66.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.813 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.63 -52.53 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.848 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -60.47 -39.21 86.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.889 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 79.1 p -54.96 -47.3 74.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 61.13 110.847 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 32.4 m -57.09 -49.47 75.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 52.43 111.167 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -43.32 60.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.848 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.786 HD22 HD12 ' A' ' 380' ' ' LEU . 54.1 mt -74.43 -40.38 61.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 43.52 110.915 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -59.41 -58.01 10.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.887 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.09 -35.23 74.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 72.53 110.852 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -56.95 -51.52 68.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.45 110.878 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 49.1 m-85 -65.28 -51.23 62.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 54.34 110.869 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -52.21 -37.59 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 71.03 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -52.4 -35.36 51.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 62.42 110.894 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 56.3 mtm -85.5 -35.47 21.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.87 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 71.21 110.846 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.853 0.358 . . . . 60.3 110.849 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -36.07 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.15 110.863 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.79 -46.72 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.884 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 14.6 t -60.11 -39.05 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 64.41 110.861 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -75.26 -33.95 61.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.87 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.631 HD23 HD12 ' A' ' 355' ' ' ILE . 10.9 mt -69.07 -47.86 64.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.924 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -26.56 43.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.33 110.913 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -76.97 -38.12 53.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.875 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.631 HD12 HD23 ' A' ' 352' ' ' LEU . 56.5 mt -61.92 -41.52 91.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.129 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -71.82 -42.79 66.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.851 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.36 -44.67 86.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 63.02 111.122 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -55.15 -50.67 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.424 HG22 HD12 ' A' ' 363' ' ' LEU . 43.0 mt -57.29 -35.36 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 73.32 111.108 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -47.28 83.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.897 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -75.73 -30.57 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 61.12 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.7 p -78.03 -3.06 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.833 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.424 HD12 HG22 ' A' ' 359' ' ' ILE . 51.8 mt -121.45 26.03 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 63.44 110.855 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 170.67 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.885 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 1.048 HD11 HG22 ' B' ' 403' ' ' ILE . 5.9 tp -84.52 -41.0 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 75.13 111.127 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . 0.431 ' N ' HG23 ' A' ' 365' ' ' ILE . 4.8 p-10 -92.16 -32.36 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.851 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -109.88 36.34 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 65.54 110.889 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.531 HD13 ' CD2' ' B' ' 406' ' ' PHE . 17.3 tp -53.51 107.61 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 61.41 110.908 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -123.64 69.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.869 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.684 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.8 m -52.38 -30.06 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 73.32 111.117 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -52.21 -42.06 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.877 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -35.56 59.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.872 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' A' ' 359' ' ' ILE . 42.4 t -53.96 -37.18 63.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 70.04 110.884 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.1 mt -73.76 -50.24 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 55.44 111.125 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.53 -34.51 36.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.937 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.425 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.65 -53.8 7.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.109 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 70.5 mt -52.03 -43.87 63.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 72.3 110.882 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -63.24 -35.01 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 44.25 110.875 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.96 -46.21 82.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 34.12 110.884 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.541 HD12 HD22 ' B' ' 419' ' ' LEU . 3.4 tm? -51.39 -53.19 39.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 52.31 110.92 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.667 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -55.93 -24.97 41.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 53.33 111.099 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.25 26.79 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.88 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.583 HD11 ' CD1' ' A' ' 355' ' ' ILE . 22.4 mt -111.66 -30.67 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 63.21 110.877 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 49.99 50.26 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.872 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.73 147.3 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 44.12 111.106 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -82.63 173.9 11.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 72.12 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 4.3 ttt -64.16 -38.09 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.855 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -55.15 -55.54 30.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 70.25 110.968 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -72.75 -35.69 67.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.899 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.66 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 73.34 111.092 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . 0.554 ' O ' HG23 ' A' ' 394' ' ' THR . 18.5 mt-30 -51.6 -51.54 54.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.931 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -51.97 -33.95 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 71.12 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -95.15 35.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 70.14 110.854 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.764 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.6 OUTLIER -57.49 -35.22 69.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 63.35 111.119 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.84 -44.18 90.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 65.31 110.904 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 49.1 ttp -55.35 -44.88 76.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.922 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.764 HD12 ' HA ' ' A' ' 394' ' ' THR . 5.7 mt -60.73 -42.01 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 64.34 111.154 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 7.3 m -54.99 -37.04 66.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 71.25 111.181 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.8 m -70.28 -35.42 73.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.32 111.138 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 397' ' ' ILE . 22.4 mt -60.95 -36.24 78.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.903 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -28.78 56.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.05 110.886 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -75.91 -35.42 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 71.01 110.875 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.031 HG22 HD11 ' B' ' 365' ' ' ILE . 41.0 pt -73.11 -1.88 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 75.44 111.138 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -33.63 45.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 64.01 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -20.48 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.874 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.562 ' HE1' HG13 ' B' ' 408' ' ' VAL . 0.7 OUTLIER -42.43 113.67 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.04 110.873 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 31.6 pttt -175.63 133.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.564 HG13 ' HE1' ' B' ' 406' ' ' PHE . 2.2 m -51.9 145.94 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 43.23 111.096 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 40.7 t -87.87 157.32 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 74.43 110.882 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -52.24 -35.65 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 74.23 110.879 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -58.84 -40.0 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 73.11 111.117 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.617 HD11 ' HB ' ' B' ' 370' ' ' VAL . 80.1 mt -73.25 -50.68 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.31 111.093 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 11.5 mtm -60.06 -32.35 70.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 65.12 110.919 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -75.68 -45.72 35.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -65.03 -34.83 79.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 75.21 110.91 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.8 p -58.99 -52.27 66.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 71.33 110.842 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 65.1 m -52.47 -43.64 65.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 73.02 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -51.93 -49.06 63.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.895 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.587 HD22 HD12 ' B' ' 380' ' ' LEU . 50.4 mt -73.57 -38.39 65.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 71.2 110.911 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -57.02 -51.77 67.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.938 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -66.48 -36.22 82.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.91 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -54.97 -49.54 71.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.922 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -74.43 -36.11 63.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -57.18 -50.72 71.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 63.42 110.926 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.75 -39.24 65.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 44.24 110.913 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 10.0 mtm -75.2 -35.12 61.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.876 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.44 ' HE2' HG22 ' B' ' 394' ' ' THR . 3.6 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 65.35 110.89 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.925 0.393 . . . . 65.44 110.872 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -36.34 60.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 74.02 110.854 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.25 -45.54 55.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.42 110.878 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 14.8 t -61.32 -39.54 90.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 65.45 110.852 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -75.36 -34.13 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 64.45 110.899 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.573 ' HA ' HD12 ' B' ' 355' ' ' ILE . 12.6 mt -70.8 -48.28 55.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 63.21 110.923 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -26.19 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.897 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -76.87 -37.4 55.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 71.42 110.849 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' B' ' 352' ' ' LEU . 43.3 mt -62.87 -41.01 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.43 111.139 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -70.79 -40.86 72.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.874 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.24 -44.21 76.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.095 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -55.35 -50.2 70.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 74.45 110.895 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.404 HG22 HD12 ' B' ' 363' ' ' LEU . 42.4 mt -57.68 -35.37 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 62.43 111.093 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -46.99 83.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.841 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -75.73 -30.82 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 75.2 110.908 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 7.3 p -77.81 -3.16 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.875 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.425 HD21 ' SG ' ' B' ' 373' ' ' CYS . 53.8 mt -121.35 25.9 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 45.15 110.904 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 170.89 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.861 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.031 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.69 -40.86 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.33 111.116 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.428 ' N ' HG23 ' B' ' 365' ' ' ILE . 4.9 p-10 -92.46 -32.38 14.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 64.14 110.852 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -109.66 36.2 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 65.1 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.543 HD13 ' CD2' ' A' ' 406' ' ' PHE . 16.9 tp -53.5 107.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.916 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -123.29 69.37 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.843 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.617 ' HB ' HD11 ' A' ' 412' ' ' ILE . 7.4 m -52.02 -30.49 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 64.02 111.122 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -52.25 -42.19 63.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -35.52 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 64.21 110.868 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.425 ' SG ' HD21 ' B' ' 363' ' ' LEU . 43.1 t -53.63 -38.03 63.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.86 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.0 mt -73.11 -49.23 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 64.33 111.117 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.9 -35.49 45.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.499 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.64 -53.79 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 73.15 111.089 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 70.9 mt -52.21 -42.96 63.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 72.3 110.931 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.19 -35.83 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 54.03 110.848 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -45.66 89.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 62.51 110.883 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.587 HD12 HD22 ' A' ' 419' ' ' LEU . 3.2 tm? -52.88 -52.14 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.878 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . 0.546 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -54.96 -33.23 62.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 71.22 111.084 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -28.75 64.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 63.33 110.807 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 41.3 mt -91.05 95.17 9.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 71.02 110.9 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -70.7 76.28 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 65.43 110.891 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 386' ' ' THR . 3.5 p -78.49 142.41 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 70.11 111.123 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . 0.4 ' O ' HG22 ' B' ' 385' ' ' VAL . 14.7 t -80.44 174.1 11.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 45.24 111.127 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.2 ttt -63.57 -37.78 88.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.817 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -55.3 -54.58 41.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.923 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -73.85 -35.93 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.12 110.859 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.44 92.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 62.03 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . 0.551 ' O ' HG23 ' B' ' 394' ' ' THR . 18.3 mt-30 -51.84 -50.5 60.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 71.43 110.912 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -52.52 -34.41 49.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 54.25 110.88 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -95.08 35.52 1.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.828 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.668 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.6 OUTLIER -56.8 -35.34 68.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 54.13 111.142 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.88 -42.44 89.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.897 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 43.5 ttp -55.43 -48.02 75.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 75.43 110.901 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.798 ' HA ' HD12 ' B' ' 400' ' ' LEU . 5.8 mt -58.37 -41.93 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 71.44 111.109 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 7.4 m -54.45 -37.32 65.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 55.43 111.128 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 89.4 m -71.27 -36.87 71.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 71.54 111.133 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' B' ' 397' ' ' ILE . 21.5 mt -59.83 -35.63 75.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.11 110.889 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -28.89 55.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 60.31 110.917 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -76.01 -35.2 59.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 72.14 110.887 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 1.048 HG22 HD11 ' A' ' 365' ' ' ILE . 41.0 pt -73.06 -1.83 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 52.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -33.66 44.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 71.35 110.888 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.75 -20.36 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 65.42 110.849 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.564 ' HE1' HG13 ' A' ' 408' ' ' VAL . 0.7 OUTLIER -42.59 113.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 70.24 110.868 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -175.52 133.75 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 62.2 110.888 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.562 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.0 m -51.69 146.24 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 71.22 111.129 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.6 t -88.29 157.0 18.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.842 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -51.97 -35.55 46.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 73.33 110.887 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . 0.4 HG13 HG13 ' B' ' 412' ' ' ILE . 6.3 p -59.04 -39.84 79.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 73.1 111.158 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.684 HD11 ' HB ' ' A' ' 370' ' ' VAL . 81.4 mt -73.14 -50.64 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 71.34 111.157 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.5 mtm -60.05 -32.75 71.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 75.13 110.86 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -75.23 -45.99 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.895 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -64.93 -34.29 78.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -59.65 -51.41 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 61.13 110.895 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 63.7 m -52.55 -43.55 65.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 52.43 111.154 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.0 tpt -51.6 -51.27 56.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.905 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 381' ' ' ALA . 52.3 mt -72.02 -37.59 69.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 43.52 110.922 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -56.9 -52.95 63.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 75.05 110.887 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -66.79 -37.2 84.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.53 110.866 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -53.36 -49.35 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 71.45 110.868 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -74.74 -35.93 62.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 54.34 110.84 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -57.69 -50.51 72.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 71.03 110.905 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -39.66 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 62.42 110.87 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -75.05 -35.2 61.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.851 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . 0.471 ' HE2' HG22 ' A' ' 394' ' ' THR . 3.6 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 71.21 110.904 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 27.9 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.879 0.371 . . . . 60.3 110.901 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -36.76 64.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 71.15 110.907 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.37 -40.74 64.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.865 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -63.62 -37.95 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.865 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . 0.613 HH11 HD22 ' A' ' 383' ' ' LEU . 8.2 ptp180 -76.34 -33.43 58.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 74.54 110.869 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.521 HD22 ' HE3' ' A' ' 396' ' ' MET . 23.7 mt -75.97 -32.02 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.92 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.09 -32.48 67.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.891 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -78.28 -38.49 42.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 75.43 110.873 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.403 HG23 ' HB1' ' A' ' 376' ' ' ALA . 45.9 mt -65.18 -38.12 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 73.14 111.143 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -72.86 -43.37 62.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.892 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.77 78.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 63.02 111.131 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.55 -42.67 71.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 64.34 110.883 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 29.4 mt -68.22 -31.88 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.109 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -61.92 -52.32 64.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 71.35 110.927 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -71.17 -29.05 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 61.12 110.925 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 71.8 m -75.48 -26.9 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 73.51 110.857 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 35.8 mt -95.1 26.67 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 63.44 110.918 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.36 168.83 13.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.901 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 0.886 HD11 HG22 ' B' ' 403' ' ' ILE . 5.2 tp -84.66 -37.87 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 75.13 111.143 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -90.46 -33.74 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 72.25 110.917 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.64 36.62 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 65.54 110.905 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' B' ' 406' ' ' PHE . 14.9 tp -56.47 107.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 61.41 110.906 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -132.97 75.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.15 110.865 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.641 ' HB ' HD11 ' B' ' 412' ' ' ILE . 14.0 m -51.07 -28.89 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.115 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -51.7 -38.47 55.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.915 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -76.29 -35.55 58.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.858 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 18.0 t -53.4 -58.84 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 70.04 110.836 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.42 -47.07 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 55.44 111.141 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.97 -34.86 44.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.903 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.403 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.24 -52.7 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 74.24 111.117 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.63 HD23 ' CB ' ' B' ' 415' ' ' LYS . 2.9 mp -52.01 -34.83 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 72.3 110.902 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -58.58 -49.41 77.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 44.25 110.937 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.19 -50.14 74.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 34.12 110.93 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.649 ' O ' HD13 ' A' ' 380' ' ' LEU . 1.5 tm? -51.69 -37.19 49.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 52.31 110.962 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.12 72.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 53.33 111.084 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 23.0 t -76.52 -35.67 58.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.847 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.613 HD22 HH11 ' A' ' 351' ' ' ARG . 82.7 mt -69.1 109.81 4.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 63.21 110.898 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -77.25 60.14 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 74.02 110.917 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.63 138.81 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 44.12 111.102 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -94.0 171.67 8.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 72.12 111.103 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -35.35 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.887 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.91 -59.23 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 70.25 110.893 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.24 -36.02 80.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 70.44 110.935 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.8 -47.23 86.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.093 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 394' ' ' THR . 28.5 mt-30 -51.69 -37.07 49.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.891 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -35.23 68.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 71.12 110.941 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -95.43 35.52 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 70.14 110.805 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.451 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.7 OUTLIER -51.44 -35.18 38.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 63.35 111.162 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.55 -43.81 93.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 65.31 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.521 ' HE3' HD22 ' A' ' 352' ' ' LEU . 42.3 ttp -55.33 -47.18 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.875 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.707 ' HA ' HD12 ' A' ' 400' ' ' LEU . 2.9 mt -61.11 -42.3 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 64.34 111.161 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 9.4 m -54.12 -43.84 70.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 71.25 111.137 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -62.89 -45.3 93.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 64.32 111.133 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 397' ' ' ILE . 25.0 mt -51.87 -38.43 56.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 73.43 110.914 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -76.81 -28.23 55.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 75.05 110.896 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -75.89 -35.94 59.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 71.01 110.895 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 0.896 HG22 HD11 ' B' ' 365' ' ' ILE . 35.9 pt -72.0 -4.65 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 75.44 111.146 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -37.68 56.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 64.01 110.832 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.05 24.39 8.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.873 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.608 ' CD1' HD13 ' B' ' 368' ' ' LEU . 1.7 t80 -82.55 117.97 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.04 110.889 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -172.54 149.39 2.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.932 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.51 133.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 43.23 111.138 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.2 t -67.42 169.88 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.859 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.3 -34.08 67.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.954 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . 0.433 HG13 HG13 ' A' ' 412' ' ' ILE . 5.2 p -53.16 -41.33 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 73.11 111.103 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.503 HD11 ' HB ' ' B' ' 370' ' ' VAL . 89.9 mt -73.71 -51.01 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.31 111.136 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 16.6 mtm -55.74 -33.6 64.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 65.12 110.854 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.16 -51.12 16.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 73.25 110.906 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.683 ' CB ' HD23 ' B' ' 377' ' ' LEU . 16.8 mttm -60.58 -40.1 90.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.942 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 87.2 p -55.11 -45.46 75.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.877 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 33.2 m -57.87 -49.2 77.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.02 111.094 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttp -51.75 -42.54 62.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 71.21 110.877 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.641 HD22 HD12 ' B' ' 380' ' ' LEU . 62.1 mt -74.3 -43.21 57.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.944 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -55.19 -53.86 50.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -58.49 -35.89 72.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 73.14 110.874 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -54.91 -51.1 67.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.877 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.607 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 90.4 m-85 -74.23 -38.4 63.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -58.61 -44.84 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 63.42 110.95 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -59.94 -36.07 76.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 44.24 110.855 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 37.8 mtm -76.3 -35.17 58.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.843 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 65.35 110.873 -179.902 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.872 0.368 . . . . 65.44 110.828 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -37.33 63.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.02 110.891 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.99 -36.21 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -68.24 -38.13 81.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 65.45 110.833 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -75.56 -36.93 60.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 64.45 110.883 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.522 HD22 ' HE1' ' B' ' 396' ' ' MET . 31.2 mt -71.71 -47.77 51.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 63.21 110.897 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -57.83 -30.48 65.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 64.41 110.957 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -76.92 -43.18 36.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.583 HG23 ' HB1' ' B' ' 376' ' ' ALA . 22.5 mt -61.82 -36.7 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 75.43 111.14 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -71.94 -50.51 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.826 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.16 93.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 75.04 111.072 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -54.66 -45.14 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.403 HG23 ' SG ' ' B' ' 373' ' ' CYS . 35.8 mt -66.2 -33.28 62.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 62.43 111.147 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -52.15 66.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.885 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -71.61 -26.87 62.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.4 m -76.14 -28.8 57.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 71.21 110.849 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 39.3 mt -94.58 26.53 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 45.15 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.77 169.77 9.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.892 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 0.896 HD11 HG22 ' A' ' 403' ' ' ILE . 4.5 tp -84.8 -39.12 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.33 111.138 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -90.3 -33.35 16.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.842 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -107.91 36.76 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 65.1 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.608 HD13 ' CD1' ' A' ' 406' ' ' PHE . 12.5 tp -56.68 107.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 73.24 110.9 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -135.16 78.74 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.857 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.503 ' HB ' HD11 ' A' ' 412' ' ' ILE . 4.9 m -52.84 -27.79 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 64.02 111.13 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.69 -38.69 56.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.87 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -76.1 -35.56 59.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 64.21 110.832 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.403 ' SG ' HG23 ' B' ' 359' ' ' ILE . 14.1 t -53.46 -59.16 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 61.02 110.886 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.402 HD12 ' O ' ' B' ' 370' ' ' VAL . 3.1 mt -53.34 -46.1 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 64.33 111.147 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.81 -35.86 45.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 75.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.583 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.83 -50.8 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 73.15 111.142 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . 0.683 HD23 ' CB ' ' A' ' 415' ' ' LYS . 2.9 mp -52.24 -35.47 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.913 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.78 -48.99 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 54.03 110.863 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -59.08 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 62.51 110.861 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.641 HD12 HD22 ' A' ' 419' ' ' LEU . 1.5 tm? -52.05 -39.66 59.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.927 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.32 77.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 71.22 111.118 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 23.0 t -76.05 -35.78 59.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 63.33 110.821 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.59 110.19 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 71.02 110.889 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -77.65 60.02 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 65.43 110.931 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.39 138.89 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 70.11 111.115 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -93.64 171.97 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 45.24 111.105 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -35.69 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 75.31 110.863 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.45 -59.06 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.923 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.34 -36.29 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.47 -46.46 88.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 62.03 111.092 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -51.97 -35.81 47.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 71.43 110.925 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -35.84 65.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 54.25 110.905 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -96.05 35.59 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.828 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.49 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.7 OUTLIER -53.11 -35.5 59.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 54.13 111.133 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.94 -39.67 82.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 74.34 110.859 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . 0.522 ' HE1' HD22 ' B' ' 352' ' ' LEU . 43.0 ttp -58.51 -47.08 85.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.871 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.737 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.1 mt -62.92 -40.01 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.44 111.166 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 9.1 m -54.36 -40.34 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 55.43 111.153 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.7 m -68.11 -42.69 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 71.54 111.124 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' B' ' 397' ' ' ILE . 45.8 mt -51.15 -39.84 57.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 75.11 110.877 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -76.02 -28.52 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 60.31 110.869 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -74.81 -36.04 62.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 72.14 110.894 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.886 HG22 HD11 ' A' ' 365' ' ' ILE . 34.1 pt -73.51 -2.49 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 52.0 111.138 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -38.73 31.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.35 110.885 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.39 26.04 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 65.42 110.858 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.466 ' CD2' HD13 ' A' ' 368' ' ' LEU . 0.0 OUTLIER -87.47 122.26 30.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 70.24 110.861 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -175.1 154.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 62.2 110.877 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.429 HG13 ' CE2' ' A' ' 406' ' ' PHE . 17.0 m -82.6 133.27 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 71.22 111.145 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 38.8 t -66.28 169.43 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 64.22 110.868 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.17 -33.95 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 73.33 110.952 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.5 p -53.66 -41.65 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.1 111.093 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.641 HD11 ' HB ' ' A' ' 370' ' ' VAL . 86.9 mt -70.73 -51.4 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.088 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.1 mtm -58.26 -32.05 68.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.859 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.14 -53.47 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.903 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . 0.63 ' CB ' HD23 ' A' ' 377' ' ' LEU . 16.7 mttm -58.82 -38.71 79.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.883 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.3 p -55.35 -51.27 67.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 61.13 110.849 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 28.7 m -53.81 -48.55 69.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 52.43 111.149 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttp -51.11 -42.8 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.854 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.632 HD22 HD12 ' A' ' 380' ' ' LEU . 61.9 mt -74.46 -46.67 38.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 43.52 110.905 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -52.52 -53.9 39.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.05 110.925 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -58.03 -37.73 74.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 72.53 110.878 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -54.34 -51.67 64.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.93 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 22.5 m-85 -75.16 -36.06 61.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 54.34 110.865 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -59.31 -43.46 92.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 71.03 110.856 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -61.79 -35.01 76.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 62.42 110.902 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.1 mtm -76.09 -35.08 59.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.875 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.888 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.894 0.378 . . . . 60.3 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.5 tpt -54.55 -36.89 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 71.15 110.931 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.25 -41.36 63.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.855 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 72.6 m -63.32 -37.96 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.875 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . 0.404 HH11 HD22 ' A' ' 383' ' ' LEU . 9.6 ptp180 -76.49 -33.74 58.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.829 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.529 HD22 ' CE ' ' A' ' 396' ' ' MET . 15.6 mt -75.34 -33.32 61.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.916 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -33.05 70.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.91 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -78.87 -37.68 39.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 75.43 110.847 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 45.6 mt -64.32 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.14 111.095 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -72.16 -39.75 68.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.916 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.7 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 63.02 111.072 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.94 -38.61 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 64.34 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.592 HG22 HD12 ' A' ' 363' ' ' LEU . 53.2 mt -68.58 -34.4 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.166 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -60.7 -44.48 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 71.35 110.931 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -75.62 -31.3 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 61.12 110.927 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 23.1 p -81.32 -1.03 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 73.51 110.858 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.592 HD12 HG22 ' A' ' 359' ' ' ILE . 26.5 mt -121.29 26.32 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 63.44 110.886 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -72.45 170.08 15.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 73.13 110.883 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 1.031 HD11 HG22 ' B' ' 403' ' ' ILE . 6.3 tp -84.0 -37.66 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 75.13 111.118 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.56 -29.97 15.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.882 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -112.44 36.26 3.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 65.54 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.721 HD13 ' CE1' ' B' ' 406' ' ' PHE . 20.8 tp -53.36 107.3 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 61.41 110.954 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -127.81 69.89 1.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.15 110.819 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.584 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.1 m -51.64 -30.0 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 73.32 111.151 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -52.16 -40.78 61.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 71.21 110.867 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -75.8 -33.65 60.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.87 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.426 ' SG ' HG23 ' A' ' 359' ' ' ILE . 48.6 t -53.13 -51.02 63.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 70.04 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -61.71 -46.76 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 55.44 111.185 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -52.02 -34.71 44.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.841 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.76 -54.25 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.24 111.089 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.9 mt -52.57 -36.99 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 72.3 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.63 -49.04 77.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 44.25 110.877 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.54 -41.01 98.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 34.12 110.888 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.656 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.5 tm? -54.67 -37.33 65.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 52.31 110.899 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.545 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -73.99 -34.74 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 53.33 111.137 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -36.85 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.843 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.404 HD22 HH11 ' A' ' 351' ' ' ARG . 49.1 mt -64.94 111.93 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 63.21 110.919 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.81 76.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.925 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -88.27 144.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 44.12 111.126 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -101.72 173.85 6.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 72.12 111.192 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -38.3 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.23 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -51.93 -59.27 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 70.25 110.865 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -67.58 -35.98 80.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.873 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.4 78.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 73.34 111.08 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.8 -36.01 46.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.926 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -72.45 -34.75 67.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 71.12 110.874 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -95.39 35.67 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 70.14 110.85 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.525 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.1 OUTLIER -52.41 -35.32 51.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 63.35 111.147 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -60.85 -48.21 82.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 65.31 110.89 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.529 ' CE ' HD22 ' A' ' 352' ' ' LEU . 47.5 ttp -55.37 -39.99 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.902 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.775 ' HA ' HD12 ' A' ' 400' ' ' LEU . 4.6 mt -70.05 -37.96 73.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 64.34 111.122 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 11.6 m -62.61 -43.09 99.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 71.25 111.162 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 87.2 m -62.2 -34.72 76.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 64.32 111.143 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 397' ' ' ILE . 43.4 mt -58.16 -36.61 73.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.921 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -75.97 -28.97 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 75.05 110.893 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -74.61 -35.35 62.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 71.01 110.876 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.09 HG22 HD11 ' B' ' 365' ' ' ILE . 34.7 pt -74.61 -1.24 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -32.29 29.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.862 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -20.24 7.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.845 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -41.28 121.34 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 75.04 110.868 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.6 130.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 74.21 110.905 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.506 HG13 ' HE2' ' B' ' 406' ' ' PHE . 7.7 m -61.2 131.34 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 43.23 111.135 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 34.9 t -66.65 166.3 13.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.858 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.23 -36.54 83.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.949 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.5 p -54.04 -39.86 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 73.11 111.114 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.778 HD11 ' HB ' ' B' ' 370' ' ' VAL . 93.3 mt -69.24 -47.25 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.31 111.112 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.9 mtm -64.4 -32.77 74.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 65.12 110.886 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -53.75 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.897 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -60.69 -39.33 88.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.909 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . 0.417 ' HB2' HD11 ' B' ' 403' ' ' ILE . 55.8 p -54.95 -48.88 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.853 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 31.3 m -56.02 -49.48 73.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 73.02 111.185 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.4 ttp -50.58 -44.26 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.888 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.62 HD13 HD12 ' B' ' 380' ' ' LEU . 59.3 mt -74.32 -39.39 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 71.2 110.914 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -60.07 -60.26 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.959 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -58.94 -35.06 72.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.915 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -54.85 -53.71 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.863 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.486 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 22.0 m-85 -69.68 -37.91 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -55.54 -44.51 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 63.42 110.86 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -56.3 -35.22 67.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 44.24 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 19.5 mtm -75.42 -34.98 61.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.841 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 65.35 110.844 -179.936 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.887 0.375 . . . . 65.44 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.6 tpt -53.52 -36.79 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.862 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -73.43 -40.49 64.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.863 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 72.5 m -64.05 -37.52 87.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 65.45 110.904 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -76.74 -33.94 58.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 64.45 110.844 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.4 -34.76 61.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 63.21 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.68 -33.56 72.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 64.41 110.902 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -78.44 -37.4 43.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 71.42 110.849 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 48.5 mt -65.74 -39.82 85.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 75.43 111.165 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -71.85 -39.63 69.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.894 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.37 78.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 75.04 111.096 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.19 -38.92 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.45 110.864 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.599 HG22 HD12 ' B' ' 363' ' ' LEU . 53.8 mt -67.76 -34.62 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 62.43 111.167 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -61.6 -43.46 98.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.869 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -75.72 -32.13 59.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.2 110.89 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 30.6 p -81.37 -0.82 42.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 71.21 110.871 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.599 HD12 HG22 ' B' ' 359' ' ' ILE . 26.2 mt -120.58 26.16 9.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 45.15 110.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.69 170.45 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.922 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.09 HD11 HG22 ' A' ' 403' ' ' ILE . 5.8 tp -84.32 -38.32 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.11 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -92.59 -31.63 15.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.846 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -111.0 36.33 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 65.1 110.88 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.0 tp -53.42 107.37 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.949 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -127.1 70.3 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.87 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.778 ' HB ' HD11 ' A' ' 412' ' ' ILE . 15.7 m -51.84 -30.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 64.02 111.103 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -52.06 -40.61 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.921 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -75.76 -34.17 60.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 64.21 110.878 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.431 ' SG ' HG23 ' B' ' 359' ' ' ILE . 48.4 t -53.15 -50.94 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 61.02 110.895 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -61.22 -45.84 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 64.33 111.077 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -51.92 -35.93 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.56 -52.74 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.15 111.087 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 14.5 mt -52.22 -35.49 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 72.3 110.923 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.2 -49.17 78.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 54.03 110.849 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -45.09 95.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 62.51 110.89 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.667 HD13 ' O ' ' B' ' 380' ' ' LEU . 2.4 tm? -52.44 -36.42 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.938 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . 0.451 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -73.74 -34.59 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 71.22 111.101 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.03 -36.24 64.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 63.33 110.835 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.84 112.93 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 71.02 110.931 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -75.11 75.54 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 65.43 110.915 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.7 p -87.61 144.15 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 70.11 111.171 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -101.7 173.79 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 45.24 111.173 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -38.39 80.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 75.31 110.888 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -51.95 -59.2 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -67.2 -36.1 81.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.12 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.87 76.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 62.03 111.069 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.91 -35.98 47.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 71.43 110.902 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -71.78 -34.96 69.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 54.25 110.877 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -94.97 35.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 74.34 110.858 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.659 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.1 OUTLIER -51.51 -35.45 40.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 54.13 111.143 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.07 -49.01 79.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.901 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . 0.548 ' HE3' HD21 ' B' ' 380' ' ' LEU . 47.0 ttp -55.39 -40.66 71.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.743 ' HA ' HD12 ' B' ' 400' ' ' LEU . 4.5 mt -66.72 -40.79 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 71.44 111.159 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 12.4 m -62.24 -44.47 96.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 55.43 111.155 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.4 m -59.5 -37.19 77.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 71.54 111.15 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' B' ' 397' ' ' ILE . 23.1 mt -58.53 -35.71 72.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.927 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -76.7 -28.75 55.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 60.31 110.883 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -74.91 -33.99 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.88 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 1.031 HG22 HD11 ' A' ' 365' ' ' ILE . 33.5 pt -75.38 -1.73 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 52.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -34.65 54.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.35 110.856 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.66 -14.19 8.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 65.42 110.855 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.721 ' CE1' HD13 ' A' ' 368' ' ' LEU . 5.6 t80 -45.19 113.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 70.24 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.69 133.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 62.2 110.931 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.406 HG22 ' O ' ' B' ' 409' ' ' SER . 2.5 p -59.54 135.49 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 71.22 111.127 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . 0.406 ' O ' HG22 ' B' ' 408' ' ' VAL . 36.5 t -72.58 170.68 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 64.22 110.846 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -71.02 -34.79 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.897 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.42 -41.9 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.1 111.106 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.584 HD11 ' HB ' ' A' ' 370' ' ' VAL . 47.6 mt -73.18 -49.87 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.089 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.1 mtm -55.86 -31.92 63.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.86 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.2 -53.4 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -59.3 -39.68 83.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.941 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 97.2 p -56.37 -43.54 79.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 61.13 110.83 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 12.8 m -58.79 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 52.43 111.137 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.4 ttp -49.15 -41.89 37.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.879 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.579 HD13 HD12 ' A' ' 380' ' ' LEU . 60.4 mt -75.33 -34.74 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 43.52 110.926 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -61.46 -62.69 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.05 110.941 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -59.97 -32.17 70.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.889 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -53.09 -48.78 67.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 71.45 110.912 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -75.47 -40.92 56.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 54.34 110.907 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -53.37 -47.7 69.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 71.03 110.921 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -52.01 -35.74 47.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 62.42 110.936 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 19.6 mtm -76.28 -35.38 58.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 74.43 110.886 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 71.21 110.854 -179.918 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.868 0.366 . . . . 60.3 110.865 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.59 -41.07 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.15 110.88 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.76 -35.63 65.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 75.24 110.883 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 36.7 t -71.31 -38.68 71.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 64.41 110.833 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -74.7 -33.99 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 74.54 110.867 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.583 HD23 HD12 ' A' ' 355' ' ' ILE . 12.9 mt -71.21 -47.51 56.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.976 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.49 -27.93 58.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.883 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -74.49 -35.93 63.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.895 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.583 HD12 HD23 ' A' ' 352' ' ' LEU . 53.0 mt -64.46 -42.82 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 73.14 111.109 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -71.93 -38.14 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.86 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.85 -44.69 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 63.02 111.078 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -55.05 -54.29 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 64.34 110.882 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.51 HG22 HD12 ' A' ' 363' ' ' LEU . 56.0 mt -55.77 -34.75 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.32 111.14 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -58.76 -49.23 78.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 71.35 110.886 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -74.85 -29.42 61.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 61.12 110.894 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 3.7 p -79.95 -1.08 37.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.832 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.51 HD12 HG22 ' A' ' 359' ' ' ILE . 36.7 mt -121.14 26.06 9.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 63.44 110.89 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 169.96 13.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 73.13 110.944 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 1.083 HD11 HG22 ' B' ' 403' ' ' ILE . 6.1 tp -84.62 -40.64 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 75.13 111.105 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . 0.421 ' N ' HG23 ' A' ' 365' ' ' ILE . 7.2 p-10 -90.7 -32.74 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.864 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.2 36.56 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 65.54 110.9 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.567 HD13 ' CE1' ' B' ' 406' ' ' PHE . 16.5 tp -53.06 107.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 61.41 110.94 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -125.33 70.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 74.15 110.813 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.662 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.2 m -55.48 -29.94 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 73.32 111.139 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -52.06 -37.59 54.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.928 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -33.18 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.846 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.403 ' SG ' HG23 ' A' ' 359' ' ' ILE . 30.1 t -53.32 -55.37 25.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 70.04 110.905 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.29 -46.21 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 55.44 111.133 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.2 -34.68 64.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 74.11 110.947 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.457 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -73.77 -52.21 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.121 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 18.8 mt -52.03 -36.01 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 72.3 110.928 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.84 -49.18 78.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 44.25 110.868 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -58.9 -51.01 71.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 34.12 110.866 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.661 HD12 HD12 ' B' ' 419' ' ' LEU . 1.0 OUTLIER -51.67 -46.74 63.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 52.31 110.88 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.28 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 53.33 111.118 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -76.52 -35.61 58.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.852 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.77 117.16 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 63.21 110.935 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -84.11 54.82 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.02 110.932 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' A' ' 389' ' ' GLN . 6.1 p -67.06 137.79 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 44.12 111.165 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -95.3 172.58 8.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.134 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 13.4 tpt -52.69 -37.87 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.913 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -52.25 -59.18 4.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 70.25 110.922 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . 0.438 ' CB ' HG23 ' A' ' 385' ' ' VAL . 0.1 OUTLIER -70.79 -36.08 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 70.44 110.923 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.36 -51.19 67.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 73.34 111.135 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -52.89 -42.41 65.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.933 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -65.07 -35.64 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.911 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.421 ' CE1' HD12 ' A' ' 352' ' ' LEU . 80.6 m80 -95.31 35.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.14 110.834 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.675 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.2 OUTLIER -56.27 -40.8 74.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 63.35 111.144 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.46 -38.02 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 65.31 110.872 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.401 ' HE1' HD21 ' A' ' 380' ' ' LEU . 1.3 tmm? -64.75 -44.31 90.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.877 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.783 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.9 mt -63.25 -35.27 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 64.34 111.142 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 55.2 m -63.31 -47.94 80.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 71.25 111.168 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -56.06 -37.0 68.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 64.32 111.14 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 397' ' ' ILE . 24.5 mt -57.42 -35.01 69.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.88 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -28.86 54.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 75.05 110.883 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -75.88 -33.98 59.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 71.01 110.871 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.003 HG22 HD11 ' B' ' 365' ' ' ILE . 39.3 pt -74.37 -1.68 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 75.44 111.136 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -79.62 -34.19 40.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 64.01 110.854 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.59 -19.29 8.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.871 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.525 ' CE1' HG13 ' B' ' 408' ' ' VAL . 0.8 OUTLIER -41.34 114.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 75.04 110.868 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . 0.408 ' HD2' ' HD2' ' B' ' 407' ' ' LYS . 6.9 ttpp -177.53 133.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 74.21 110.883 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.578 HG13 ' HE2' ' B' ' 406' ' ' PHE . 2.8 m -56.98 142.5 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 43.23 111.129 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.91 166.15 23.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.866 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -35.3 78.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.893 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 23.4 t -56.1 -50.32 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.11 111.157 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.677 HD11 ' HB ' ' B' ' 370' ' ' VAL . 84.2 mt -60.79 -53.09 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.125 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 31.7 mtm -56.76 -32.5 65.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 65.12 110.868 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -74.47 -53.49 9.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 73.25 110.913 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -58.86 -40.02 83.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.923 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 91.4 p -55.05 -48.52 73.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 52.2 m -53.94 -50.61 66.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 73.02 111.184 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -48.93 -50.32 35.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 71.21 110.876 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' B' ' 380' ' ' LEU . 9.2 mp -69.35 -34.77 75.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 71.2 110.912 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -59.23 -62.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.895 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -62.28 -30.79 71.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 73.14 110.876 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -53.95 -51.09 64.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.891 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 45.0 m-85 -75.63 -35.65 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 74.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.88 -44.29 63.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 63.42 110.862 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -60.23 -35.73 76.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 44.24 110.861 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 5.8 mtm -77.7 -34.67 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.836 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 65.35 110.873 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.843 0.354 . . . . 65.44 110.825 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.5 tpt -60.81 -40.89 94.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.02 110.854 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -73.43 -36.15 65.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.847 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 36.5 t -70.59 -39.5 73.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 65.45 110.843 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -74.28 -34.11 63.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 64.45 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' B' ' 352' ' ' LEU . 12.8 mt -71.1 -47.85 55.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 63.21 110.926 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -57.32 -28.56 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 64.41 110.925 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -71.73 -38.35 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 71.42 110.842 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.699 HG23 ' HB1' ' B' ' 376' ' ' ALA . 88.9 mt -65.13 -40.12 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.43 111.108 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -71.34 -38.52 71.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.904 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.02 -43.0 65.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.04 111.13 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -55.3 -54.15 47.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.914 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.528 HG22 HD12 ' B' ' 363' ' ' LEU . 56.1 mt -55.22 -35.29 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.43 111.131 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -59.78 -46.11 90.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.844 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -75.94 -29.61 58.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.886 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -81.19 -0.84 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 71.21 110.89 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.528 HD12 HG22 ' B' ' 359' ' ' ILE . 40.1 mt -121.45 26.49 8.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 45.15 110.904 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 171.66 10.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.841 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.003 HD11 HG22 ' A' ' 403' ' ' ILE . 5.5 tp -84.43 -42.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.153 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.449 ' N ' HG23 ' B' ' 365' ' ' ILE . 7.2 p-10 -90.81 -32.32 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.852 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.11 36.18 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 65.1 110.879 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.6 107.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.904 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -126.84 70.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.837 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.677 ' HB ' HD11 ' A' ' 412' ' ' ILE . 6.3 m -56.11 -29.51 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 64.02 111.146 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -52.09 -38.05 56.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.84 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -32.81 60.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 64.21 110.876 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.436 ' SG ' HG23 ' B' ' 359' ' ' ILE . 34.1 t -53.09 -55.03 27.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 61.02 110.875 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.61 -44.95 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 64.33 111.113 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.79 -35.54 63.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 75.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.699 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -73.6 -50.82 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 73.15 111.067 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.29 -36.05 51.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 72.3 110.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.75 -49.17 78.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 54.03 110.825 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.03 -50.79 72.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 62.51 110.913 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 423' ' ' PHE . 0.9 OUTLIER -52.13 -49.8 62.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.928 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.84 -34.56 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.22 111.085 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -76.53 -35.5 58.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 63.33 110.832 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.47 117.1 6.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 71.02 110.925 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -84.5 54.7 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 65.43 110.894 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . 0.434 HG23 ' CB ' ' B' ' 389' ' ' GLN . 5.9 p -66.97 138.12 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 70.11 111.122 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -95.21 172.76 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 45.24 111.148 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 13.5 tpt -53.14 -37.6 61.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.858 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -52.44 -59.05 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.893 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . 0.434 ' CB ' HG23 ' B' ' 385' ' ' VAL . 0.1 OUTLIER -70.89 -36.48 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.91 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -54.97 -50.96 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 62.03 111.045 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -53.1 -41.19 64.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.923 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -65.68 -35.78 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 54.25 110.956 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -95.41 35.56 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.879 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.621 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.2 OUTLIER -55.31 -41.86 72.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 54.13 111.118 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.49 -36.14 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 74.34 110.837 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -65.43 -45.54 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.43 110.895 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.779 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.5 mt -62.44 -35.18 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 71.44 111.141 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 53.3 m -63.66 -47.52 80.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 55.43 111.175 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.4 m -56.58 -35.01 67.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 71.54 111.184 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' B' ' 397' ' ' ILE . 26.3 mt -59.99 -35.77 75.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.929 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -28.84 56.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 60.31 110.894 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -74.98 -35.33 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.876 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 1.083 HG22 HD11 ' A' ' 365' ' ' ILE . 33.6 pt -73.84 -1.6 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 52.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.08 -34.9 50.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.875 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.75 -16.93 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 65.42 110.862 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.578 ' HE2' HG13 ' A' ' 408' ' ' VAL . 1.2 t80 -43.54 116.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.896 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . 0.408 ' HD2' ' HD2' ' A' ' 407' ' ' LYS . 9.6 ttpp -179.26 139.36 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 62.2 110.965 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.525 HG13 ' CE1' ' A' ' 406' ' ' PHE . 2.9 m -59.17 146.86 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 71.22 111.118 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.1 165.85 20.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 64.22 110.823 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.34 -35.91 78.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.876 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.82 -50.69 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.098 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.662 HD11 ' HB ' ' A' ' 370' ' ' VAL . 80.9 mt -60.02 -51.11 76.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 71.34 111.172 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 31.9 mtm -57.17 -33.77 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.898 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -53.52 9.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.877 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -56.93 -40.07 75.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.869 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.0 p -54.72 -52.21 63.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 61.13 110.87 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.9 m -52.51 -44.27 65.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 52.43 111.177 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -51.95 -52.5 49.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.892 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.661 HD12 HD12 ' A' ' 380' ' ' LEU . 3.6 mm? -69.71 -37.88 76.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 43.52 110.895 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -57.94 -56.07 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 75.05 110.946 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -65.43 -34.51 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.836 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -54.4 -53.81 49.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.903 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.501 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 38.9 m-85 -69.85 -35.97 75.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 54.34 110.923 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -52.05 -44.13 64.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 71.03 110.87 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.03 -35.78 77.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 62.42 110.932 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 5.9 mtm -77.24 -33.97 55.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 74.43 110.879 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 71.21 110.831 -179.9 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.851 0.358 . . . . 60.3 110.831 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.1 tpt -54.57 -43.67 72.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 71.15 110.89 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.51 -35.86 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.849 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.9 t -63.8 -40.75 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 64.41 110.892 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -33.29 62.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 74.54 110.867 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.652 ' HA ' HD12 ' A' ' 355' ' ' ILE . 12.8 mt -70.87 -47.44 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.917 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -57.69 -27.94 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.869 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.95 -37.3 55.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.854 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 352' ' ' LEU . 20.9 mt -65.12 -40.08 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.14 111.125 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -71.96 -40.47 68.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.891 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.52 72.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 63.02 111.096 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.07 -51.14 67.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 64.34 110.856 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.571 HG22 HD12 ' A' ' 363' ' ' LEU . 50.1 mt -57.71 -34.89 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.32 111.126 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -61.12 -45.28 95.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 71.35 110.919 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -75.64 -28.0 58.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 61.12 110.871 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.1 p -84.61 -1.23 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 73.51 110.872 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.571 HD12 HG22 ' A' ' 359' ' ' ILE . 28.0 mt -121.69 26.26 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 63.44 110.901 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 170.87 12.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.13 110.938 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 1.054 HD11 HG22 ' B' ' 403' ' ' ILE . 6.2 tp -84.69 -38.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 75.13 111.155 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -93.0 -30.71 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.853 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -111.86 36.26 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 65.54 110.86 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.7 HD13 ' CE1' ' B' ' 406' ' ' PHE . 20.4 tp -53.67 107.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.866 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -127.11 70.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 74.15 110.9 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.663 ' HB ' HD11 ' B' ' 412' ' ' ILE . 5.5 m -53.12 -28.17 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 73.32 111.161 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -51.75 -41.01 61.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 71.21 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -75.8 -32.26 59.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.905 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.428 ' SG ' HG23 ' A' ' 359' ' ' ILE . 20.5 t -52.97 -60.34 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 70.04 110.911 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.4 mt -53.44 -44.74 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 55.44 111.157 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.21 -35.38 62.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.886 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.5 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.03 -51.17 12.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.037 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.75 HD23 HD12 ' B' ' 419' ' ' LEU . 2.2 mt -51.94 -35.69 46.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 72.3 110.922 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.53 -49.22 76.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 44.25 110.849 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.0 -45.85 86.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 34.12 110.912 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.594 HD11 ' HZ ' ' B' ' 423' ' ' PHE . 1.3 tm? -52.37 -47.63 66.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 52.31 110.904 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.89 -35.09 74.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 53.33 111.07 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -72.33 -35.95 68.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.863 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.78 108.26 3.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 63.21 110.891 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -77.72 59.83 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.02 110.924 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.62 137.42 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 44.12 111.119 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -91.91 173.01 8.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 72.12 111.113 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -38.44 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.877 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -54.37 -58.94 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 70.25 110.909 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.34 -35.63 78.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.956 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.43 89.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.34 111.119 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -51.69 -36.13 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 75.25 110.938 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -72.07 -35.02 69.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.12 110.925 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -95.29 35.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 70.14 110.841 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.477 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.2 OUTLIER -57.44 -35.56 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.35 111.11 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.3 -40.79 91.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 65.31 110.915 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.577 ' HE1' HD22 ' A' ' 352' ' ' LEU . 27.5 ttp -55.54 -43.6 75.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 74.31 110.91 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.614 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.0 mt -66.16 -39.19 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 64.34 111.111 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 20.8 m -54.03 -35.37 61.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 71.25 111.153 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.4 m -74.32 -40.62 62.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 64.32 111.15 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 397' ' ' ILE . 72.6 mt -51.46 -39.02 56.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 73.43 110.927 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -76.14 -29.29 57.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.05 110.881 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -74.67 -34.87 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 71.01 110.907 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.09 HG22 HD11 ' B' ' 365' ' ' ILE . 38.2 pt -74.93 -1.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.44 111.104 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -32.16 27.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 64.01 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.33 -20.63 8.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.44 110.9 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.442 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -41.24 120.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.853 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.54 135.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.941 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.13 131.98 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 43.23 111.13 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 1.8 m -64.38 166.14 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.819 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -64.48 -33.3 75.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.896 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.97 -39.16 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 73.11 111.112 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.799 HD11 ' HB ' ' B' ' 370' ' ' VAL . 83.7 mt -64.12 -51.63 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.31 111.126 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 23.0 ptp -66.09 -30.9 71.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 65.12 110.869 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.9 -50.52 48.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 73.25 110.872 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -65.4 -38.13 89.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.847 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . 0.428 ' HB2' HD11 ' B' ' 403' ' ' ILE . 54.8 p -54.99 -48.79 72.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 71.33 110.858 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 38.6 m -55.12 -48.28 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.02 111.16 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 2.2 ttp -51.82 -47.06 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 71.21 110.85 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.856 HD12 HD12 ' B' ' 380' ' ' LEU . 4.4 mm? -70.22 -43.68 70.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 71.2 110.886 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -52.15 -48.86 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.933 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.23 -35.55 80.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 73.14 110.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -53.33 -53.86 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.886 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.484 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 22.0 m-85 -75.63 -36.12 60.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 74.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -56.81 -40.51 76.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 63.42 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.53 -35.19 80.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 44.24 110.876 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 34.7 mtm -74.88 -35.28 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.872 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.509 ' CE2' HD13 ' B' ' 397' ' ' ILE . 22.5 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 65.35 110.889 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.905 0.383 . . . . 65.44 110.82 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.1 tpt -53.09 -43.69 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.02 110.92 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.07 -36.7 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.83 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.9 t -62.53 -41.42 98.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 65.45 110.835 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.51 -33.68 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 64.45 110.885 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.729 ' HA ' HD12 ' B' ' 355' ' ' ILE . 14.3 mt -71.35 -47.74 54.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 63.21 110.922 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -58.12 -29.26 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 64.41 110.907 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.18 -37.51 61.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 71.42 110.839 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' B' ' 352' ' ' LEU . 14.2 mt -65.16 -39.29 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.43 111.095 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -71.64 -39.53 70.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.875 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.48 -42.25 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 75.04 111.137 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -55.21 -50.67 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 74.45 110.921 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.566 HG22 HD12 ' B' ' 363' ' ' LEU . 50.6 mt -57.55 -34.94 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 62.43 111.14 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -59.07 -51.34 70.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.875 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -70.63 -30.84 67.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 75.2 110.852 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.7 p -80.04 -2.4 44.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.889 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.566 HD12 HG22 ' B' ' 359' ' ' ILE . 27.8 mt -121.68 26.17 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 45.15 110.92 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -71.72 169.96 14.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.867 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.09 HD11 HG22 ' A' ' 403' ' ' ILE . 6.0 tp -84.11 -38.64 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.111 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -93.31 -30.82 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.842 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -112.01 36.31 3.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 65.1 110.865 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.6 tp -53.48 107.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -125.85 68.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.86 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.799 ' HB ' HD11 ' A' ' 412' ' ' ILE . 17.6 m -51.66 -29.85 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 64.02 111.131 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -52.05 -40.4 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.904 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -75.78 -32.48 59.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 64.21 110.891 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' B' ' 359' ' ' ILE . 22.4 t -52.98 -59.21 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 61.02 110.875 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.5 mt -53.6 -44.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 64.33 111.169 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.99 -36.45 60.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.627 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.93 -48.34 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.15 111.122 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 2.1 mt -52.2 -35.35 48.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 72.3 110.88 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.87 -49.05 69.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 54.03 110.868 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.22 -46.21 79.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.51 110.911 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.856 HD12 HD12 ' A' ' 419' ' ' LEU . 0.4 OUTLIER -52.47 -52.15 55.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.31 110.914 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.25 66.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 71.22 111.121 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -72.53 -36.81 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 63.33 110.847 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.8 mt -70.06 108.27 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.02 110.9 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -77.63 60.03 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 65.43 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.1 p -69.23 137.14 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 70.11 111.129 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -90.46 173.31 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 45.24 111.146 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -38.63 74.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.31 110.88 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -53.64 -58.02 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.935 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -69.32 -36.27 76.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.12 110.882 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.1 88.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 62.03 111.079 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -52.49 -36.17 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 71.43 110.888 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -71.08 -35.55 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 54.25 110.894 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -95.26 35.57 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.843 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.448 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.2 OUTLIER -56.37 -35.53 67.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 54.13 111.116 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.06 -40.85 86.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.917 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . 0.558 ' HE3' HD21 ' B' ' 380' ' ' LEU . 20.2 ttp -55.37 -47.64 75.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.85 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.616 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.8 mp -60.59 -41.18 86.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 71.44 111.125 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 23.9 m -54.08 -35.66 62.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 55.43 111.103 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.7 m -73.22 -43.11 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.54 111.154 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' B' ' 397' ' ' ILE . 46.4 mt -51.7 -38.26 54.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.935 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -76.77 -28.96 55.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 60.31 110.882 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -74.95 -33.98 62.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.904 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 1.054 HG22 HD11 ' A' ' 365' ' ' ILE . 35.9 pt -75.29 -2.17 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 52.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -34.23 55.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 71.35 110.89 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.53 -15.03 9.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 65.42 110.878 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.7 ' CE1' HD13 ' A' ' 368' ' ' LEU . 10.9 t80 -45.11 108.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 70.24 110.867 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.99 136.05 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 62.2 110.857 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.7 p -58.32 135.22 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 71.22 111.13 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 1.7 m -65.56 175.42 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 64.22 110.872 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -78.79 -33.0 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.932 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.24 -37.47 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.12 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.663 HD11 ' HB ' ' A' ' 370' ' ' VAL . 90.5 mt -65.97 -49.84 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 71.34 111.164 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.0 ptp -63.51 -33.15 74.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.13 110.859 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -50.5 48.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.869 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -62.89 -39.74 95.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.94 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . 0.457 ' HB2' HD11 ' A' ' 403' ' ' ILE . 54.0 p -54.78 -45.94 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 61.13 110.883 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 36.6 m -57.83 -46.26 84.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 52.43 111.127 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 2.2 ttp -54.41 -44.23 72.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.942 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.75 HD12 HD23 ' A' ' 377' ' ' LEU . 28.9 mt -73.14 -41.36 64.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 43.52 110.921 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -53.61 -49.37 67.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.917 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -65.46 -34.77 79.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.851 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -53.18 -53.3 52.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 71.45 110.888 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.594 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 95.7 m-85 -74.41 -39.8 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 54.34 110.889 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -54.68 -41.92 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 71.03 110.883 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -64.04 -35.98 82.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 62.42 110.89 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 34.4 mtm -75.57 -35.12 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.887 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 397' ' ' ILE . 20.3 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 71.21 110.874 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.866 0.365 . . . . 60.3 110.817 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -35.66 60.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 71.15 110.928 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -73.68 -45.54 51.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 75.24 110.891 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.23 -38.91 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.829 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -74.91 -33.96 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 74.54 110.876 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.628 ' HA ' HD12 ' A' ' 355' ' ' ILE . 5.9 mt -71.25 -47.46 57.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.95 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -56.37 -28.7 59.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.901 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -76.91 -38.13 54.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.873 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 352' ' ' LEU . 24.2 mt -64.15 -38.59 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.117 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -71.89 -39.22 69.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.841 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.87 -42.17 67.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 63.02 111.087 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -54.91 -38.27 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 64.34 110.921 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.485 HG23 ' SG ' ' A' ' 373' ' ' CYS . 38.2 mt -74.41 -33.87 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 73.32 111.117 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -61.8 -52.43 64.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 71.35 110.894 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -71.45 -29.63 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 61.12 110.928 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 15.7 m -74.75 -26.73 59.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.887 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 363' ' ' LEU . 32.0 mt -94.43 26.55 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 63.44 110.915 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.13 170.1 7.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.883 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 0.958 HD11 HG22 ' B' ' 403' ' ' ILE . 5.7 tp -84.65 -40.96 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.13 111.123 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . 0.422 ' N ' HG23 ' A' ' 365' ' ' ILE . 13.1 p-10 -91.7 -32.6 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.875 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -105.08 36.63 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 65.54 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' B' ' 406' ' ' PHE . 16.3 tp -55.83 106.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 61.41 110.95 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.29 71.64 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.15 110.84 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.77 ' HB ' HD11 ' B' ' 412' ' ' ILE . 17.4 m -51.87 -28.01 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.098 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -51.11 -40.46 58.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.909 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -76.42 -33.31 58.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.858 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.485 ' SG ' HG23 ' A' ' 359' ' ' ILE . 7.4 t -53.23 -59.39 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.914 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.09 -48.27 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 55.44 111.128 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -51.55 -35.6 41.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.857 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.96 -53.17 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.082 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.91 -45.05 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 72.3 110.929 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.92 -37.37 79.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 44.25 110.899 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -65.32 -47.45 76.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 34.12 110.847 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.693 HD23 HD12 ' A' ' 383' ' ' LEU . 0.0 OUTLIER -52.04 -54.0 35.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 52.31 110.896 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.564 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -55.08 -21.43 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 53.33 111.074 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -98.96 26.71 5.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.828 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.693 HD12 HD23 ' A' ' 380' ' ' LEU . 36.6 mt -109.96 -30.02 7.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 63.21 110.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 50.84 42.79 28.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.922 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.92 145.03 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 44.12 111.111 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -87.58 175.46 7.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 72.12 111.128 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 1.8 ttt -62.64 -38.85 91.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.861 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.67 -54.5 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 70.25 110.919 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.2 -35.4 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 70.44 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.49 88.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.115 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -51.83 -44.53 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 75.25 110.955 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -35.31 80.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.49 35.56 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 70.14 110.868 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.707 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.2 OUTLIER -58.61 -36.27 73.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 63.35 111.146 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.47 -41.4 98.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.896 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.46 ' CE ' HD22 ' A' ' 352' ' ' LEU . 3.1 tmm? -57.1 -37.56 72.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.907 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.714 ' HA ' HD12 ' A' ' 400' ' ' LEU . 4.3 mt -70.04 -38.32 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 64.34 111.163 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 91.9 m -58.09 -40.33 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 71.25 111.118 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.1 m -65.36 -36.16 83.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.136 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 397' ' ' ILE . 48.9 mt -57.6 -37.27 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.881 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -75.49 -29.03 59.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.925 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -74.34 -35.89 63.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.01 110.957 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 0.939 HG22 HD11 ' B' ' 365' ' ' ILE . 33.8 pt -74.21 -1.53 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.44 111.128 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -33.12 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 64.01 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -20.25 7.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.869 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.474 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.8 120.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 75.04 110.916 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -175.53 141.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.885 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.545 HG22 ' HB ' ' A' ' 412' ' ' ILE . 9.2 p -62.1 136.49 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 43.23 111.138 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 7.7 t -67.66 179.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.856 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -79.75 -38.94 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 74.23 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.7 p -60.0 -39.53 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 73.11 111.112 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.756 HD11 ' HB ' ' B' ' 370' ' ' VAL . 92.7 mt -64.48 -54.15 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.177 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . 0.5 ' HE2' HG13 ' A' ' 408' ' ' VAL . 16.7 ptp -62.26 -32.45 73.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 65.12 110.835 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.38 -36.04 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.896 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -76.57 -36.06 57.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 75.21 110.93 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.1 p -56.38 -47.74 78.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 71.33 110.85 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 97.2 m -53.93 -46.12 71.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 73.02 111.102 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.9 tpt -50.8 -48.92 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 71.21 110.869 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.984 HD13 HD23 ' B' ' 380' ' ' LEU . 25.2 mt -73.53 -35.61 65.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 71.2 110.911 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -60.88 -58.43 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.869 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.5 -34.67 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.92 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -53.87 -53.26 55.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.876 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -70.12 -41.93 73.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 74.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -51.98 -45.17 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 63.42 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -55.6 -35.44 65.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 44.24 110.875 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 28.3 mtm -75.42 -34.56 61.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.898 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.459 ' CE2' HD13 ' B' ' 397' ' ' ILE . 42.7 m-85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 65.35 110.872 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.882 0.372 . . . . 65.44 110.845 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.13 -35.88 60.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.89 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -73.25 -44.96 58.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 75.42 110.877 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -39.47 89.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 65.45 110.836 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.85 -34.29 62.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 64.45 110.879 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.655 ' HA ' HD12 ' B' ' 355' ' ' ILE . 11.4 mt -71.19 -48.1 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 63.21 110.929 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -55.09 -28.61 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 64.41 110.913 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -76.43 -35.57 58.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.865 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' B' ' 352' ' ' LEU . 52.0 mt -63.5 -40.92 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 75.43 111.119 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -71.79 -42.51 67.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.845 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.21 80.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 75.04 111.091 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.54 -38.05 66.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.45 110.885 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.494 HG23 ' SG ' ' B' ' 373' ' ' CYS . 32.5 mt -75.22 -30.31 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 62.43 111.141 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -63.41 -52.8 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.3 110.901 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -72.44 -28.55 63.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 75.2 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.0 m -74.75 -26.98 60.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 42.1 mt -94.88 26.5 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 45.15 110.886 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.36 169.19 9.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.876 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 0.939 HD11 HG22 ' A' ' 403' ' ' ILE . 5.7 tp -84.67 -40.52 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 74.33 111.138 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.416 ' N ' HG23 ' B' ' 365' ' ' ILE . 13.3 p-10 -90.84 -33.21 15.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 64.14 110.856 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -106.05 36.57 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 65.1 110.893 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 15.8 tp -55.68 106.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.953 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.67 71.92 1.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 74.12 110.873 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.756 ' HB ' HD11 ' A' ' 412' ' ' ILE . 16.2 m -52.22 -27.95 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 64.02 111.08 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -51.16 -41.02 59.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.869 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -76.3 -32.82 58.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 64.21 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.494 ' SG ' HG23 ' B' ' 359' ' ' ILE . 6.1 t -53.21 -59.05 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 61.02 110.824 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.43 -45.35 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 64.33 111.136 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -53.44 -36.62 61.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 75.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.82 -51.5 11.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.15 111.104 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 3.1 mt -52.07 -42.63 63.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 72.3 110.94 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.61 -35.01 79.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 54.03 110.891 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.19 -50.33 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 62.51 110.886 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.984 HD23 HD13 ' A' ' 419' ' ' LEU . 6.3 tp -56.28 -48.11 77.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.31 110.949 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . 0.525 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -54.54 -25.68 27.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 71.22 111.104 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -79.57 -29.95 41.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 63.33 110.884 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.38 101.78 13.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 71.02 110.905 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -73.42 68.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 65.43 110.892 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.93 136.53 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 70.11 111.111 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -83.64 173.32 11.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 45.24 111.131 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 1.9 ttt -59.8 -38.97 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.882 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -52.53 -54.32 34.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.901 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -74.21 -36.03 63.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.884 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.39 88.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 62.03 111.05 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -51.79 -42.66 62.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 71.43 110.915 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -35.51 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 54.25 110.922 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -95.19 35.61 1.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.862 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.648 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.1 OUTLIER -55.73 -35.43 66.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 54.13 111.167 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.79 -42.43 95.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 74.34 110.885 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -55.33 -38.25 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.867 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.72 ' HA ' HD12 ' B' ' 400' ' ' LEU . 4.1 mt -67.55 -42.79 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 71.44 111.139 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 92.1 m -55.52 -45.42 77.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 55.43 111.153 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.7 m -58.42 -41.8 85.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 71.54 111.164 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' B' ' 397' ' ' ILE . 22.4 mt -55.95 -35.57 66.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.931 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -76.32 -28.77 57.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 60.31 110.837 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -75.37 -35.41 61.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.958 HG22 HD11 ' A' ' 365' ' ' ILE . 35.8 pt -73.6 -1.66 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 52.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -33.62 42.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 71.35 110.861 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.8 -20.04 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 65.42 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.479 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.2 OUTLIER -40.79 119.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 70.24 110.85 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -175.23 141.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 62.2 110.893 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.541 HG22 ' HB ' ' B' ' 412' ' ' ILE . 9.2 p -61.94 137.1 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 71.22 111.154 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 7.7 t -68.62 179.76 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 64.22 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -79.72 -38.76 32.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 73.33 110.94 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.14 -39.61 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 73.1 111.094 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.77 HD11 ' HB ' ' A' ' 370' ' ' VAL . 94.0 mt -64.49 -54.54 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.34 111.091 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . 0.486 ' HE2' HG13 ' B' ' 408' ' ' VAL . 16.8 ptp -61.85 -31.95 72.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.905 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.59 -36.21 63.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.819 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -76.64 -37.9 55.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.852 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 90.6 p -55.16 -44.58 75.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 61.13 110.844 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . 0.43 HG22 ' ND2' ' B' ' 421' ' ' ASN . 98.1 m -56.41 -47.44 79.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 52.43 111.104 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -49.11 -47.57 45.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.852 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 381' ' ' ALA . 45.6 mt -75.55 -34.63 60.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 43.52 110.875 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.07 -63.95 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.913 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . 0.43 ' ND2' HG22 ' B' ' 417' ' ' THR . 10.3 p30 -63.04 -32.6 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.877 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -53.02 -47.97 67.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 71.45 110.898 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -75.59 -43.1 49.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 54.34 110.836 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -53.46 -46.76 70.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 71.03 110.904 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.84 -35.72 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 62.42 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 27.4 mtm -77.34 -35.05 55.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.903 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . 0.444 ' CE2' HD13 ' A' ' 397' ' ' ILE . 42.2 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.21 110.928 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.901 0.381 . . . . 60.3 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -38.15 63.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 71.15 110.883 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.45 -34.66 65.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 75.24 110.916 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 11.1 m -68.36 -38.74 81.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 64.41 110.835 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -33.65 62.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.871 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.55 HD23 ' CG ' ' A' ' 393' ' ' HIS . 0.9 OUTLIER -71.19 -47.46 57.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.882 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -57.76 -29.38 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.897 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -76.69 -45.2 30.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.908 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 352' ' ' LEU . 17.7 mt -57.53 -42.32 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.152 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . 0.419 ' HA ' HD12 ' A' ' 359' ' ' ILE . 19.2 t-160 -71.84 -39.48 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.846 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.87 -48.68 73.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 63.02 111.063 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.06 -38.79 68.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 64.34 110.918 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.534 HG23 ' SG ' ' A' ' 373' ' ' CYS . 41.3 mt -64.34 -36.52 77.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.142 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -51.99 65.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 71.35 110.894 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -71.62 -31.25 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 61.12 110.85 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 67.1 m -79.42 -1.33 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.858 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.513 HD12 HG22 ' A' ' 359' ' ' ILE . 29.5 mt -121.3 26.55 8.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 63.44 110.907 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -73.9 167.84 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 73.13 110.892 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 1.008 HD11 HG22 ' B' ' 403' ' ' ILE . 6.2 tp -83.4 -37.4 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 75.13 111.088 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -89.34 -30.87 18.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.879 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -116.46 37.13 3.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 65.54 110.87 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' B' ' 406' ' ' PHE . 13.5 tp -52.53 108.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 61.41 110.892 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -124.47 59.64 1.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.843 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 2.9 m -49.63 -32.77 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 73.32 111.186 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -53.31 -35.16 59.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.836 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.74 -35.82 60.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.873 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.534 ' SG ' HG23 ' A' ' 359' ' ' ILE . 4.3 t -53.29 -52.19 59.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 70.04 110.876 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.6 mt -53.4 -35.89 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 55.44 111.118 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.07 -34.51 76.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.11 110.913 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.51 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.64 -53.71 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 74.24 111.105 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.35 -35.01 50.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 72.3 110.882 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.47 -46.23 87.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 44.25 110.858 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.48 -45.39 93.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 34.12 110.896 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.676 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.7 tm? -52.29 -35.82 51.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 52.31 110.924 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -71.29 -35.85 71.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 53.33 111.099 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 2.5 t -70.25 -36.32 74.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.855 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 84.0 mt -67.23 115.28 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 63.21 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -79.92 64.67 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 74.02 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.9 p -74.73 140.09 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 44.12 111.117 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -97.27 173.74 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.12 111.153 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -35.67 72.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.91 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -53.85 -59.22 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 70.25 110.944 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -69.96 -36.78 75.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 70.44 110.908 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.83 -51.24 69.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.068 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.54 -35.97 43.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 75.25 110.899 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.18 -34.31 68.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.55 ' CG ' HD23 ' A' ' 352' ' ' LEU . 76.0 m80 -95.09 35.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 70.14 110.853 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -34.61 57.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 63.35 111.156 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -44.86 82.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 65.31 110.885 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.441 ' HE1' HD21 ' A' ' 380' ' ' LEU . 1.2 ttm -55.16 -56.13 23.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 74.31 110.859 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.553 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.0 mp -58.59 -36.17 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 64.34 111.167 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 34.5 m -56.91 -32.23 65.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 71.25 111.156 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -81.45 -37.19 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 64.32 111.113 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 397' ' ' ILE . 50.1 mt -51.64 -40.0 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 73.43 110.93 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -28.02 56.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 75.05 110.874 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -75.04 -34.77 61.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 71.01 110.922 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.066 HG22 HD11 ' B' ' 365' ' ' ILE . 31.7 pt -74.48 -3.22 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.44 111.141 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -37.8 60.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 64.01 110.848 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 25.22 8.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.895 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.744 ' CD2' HD13 ' B' ' 368' ' ' LEU . 1.2 t80 -84.93 120.72 26.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.04 110.864 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.5 156.47 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.893 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 408' ' ' VAL . 5.6 p -86.91 110.5 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 43.23 111.15 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 28.5 t -46.22 154.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 74.43 110.833 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -60.61 -34.39 74.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 74.23 110.926 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.06 -40.42 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.11 111.165 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.41 HG23 HD11 ' B' ' 377' ' ' LEU . 87.2 mt -74.65 -38.66 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 74.31 111.132 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 26.4 mtm -66.04 -38.2 87.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 65.12 110.89 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -75.63 -34.01 60.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.892 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -71.63 -35.54 70.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.848 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.9 p -62.48 -48.57 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 71.33 110.898 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 35.1 m -52.58 -42.52 64.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 73.02 111.133 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -45.68 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.846 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.437 HD13 HD12 ' B' ' 380' ' ' LEU . 62.8 mt -74.41 -42.69 58.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 71.2 110.912 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -53.77 -52.08 61.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.919 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -62.69 -39.67 94.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 73.14 110.92 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -53.93 -52.04 61.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.91 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.531 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 21.3 m-85 -73.14 -34.02 65.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -62.54 -34.69 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.903 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -48.43 81.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 44.24 110.885 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 15.2 ptp -74.83 -33.42 62.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.905 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.901 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.891 0.377 . . . . 65.44 110.854 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -37.47 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 74.02 110.851 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -35.17 65.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 75.42 110.895 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 11.7 m -68.51 -38.54 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 65.45 110.871 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -74.2 -34.23 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 64.45 110.904 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.544 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.0 OUTLIER -70.05 -47.79 60.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.913 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -58.79 -31.02 68.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 64.41 110.962 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -73.78 -43.7 58.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.579 HG23 ' HB1' ' B' ' 376' ' ' ALA . 14.0 mt -60.48 -41.64 88.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 75.43 111.13 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . 0.45 ' HA ' HD12 ' B' ' 359' ' ' ILE . 20.4 t-160 -70.85 -37.34 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.835 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.94 70.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.04 111.147 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.28 -41.09 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.865 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.507 HG22 HD12 ' B' ' 363' ' ' LEU . 27.9 mt -62.89 -36.65 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 62.43 111.199 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -59.93 -51.86 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.88 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -72.45 -31.41 65.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 75.2 110.848 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.4 m -76.76 -4.64 44.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 71.21 110.881 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.507 HD12 HG22 ' B' ' 359' ' ' ILE . 50.4 mt -119.89 26.01 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 45.15 110.931 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -73.9 167.9 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.87 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.066 HD11 HG22 ' A' ' 403' ' ' ILE . 6.6 tp -83.78 -38.45 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.109 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -88.62 -31.08 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 64.14 110.869 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -116.15 37.04 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 65.1 110.902 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.744 HD13 ' CD2' ' A' ' 406' ' ' PHE . 12.1 tp -52.53 107.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 73.24 110.917 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -126.56 63.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.84 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 4.1 m -50.44 -31.02 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.02 111.139 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -52.14 -35.31 48.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.929 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -35.41 60.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 64.21 110.873 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.503 ' SG ' HG23 ' B' ' 359' ' ' ILE . 7.4 t -53.45 -52.89 58.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 61.02 110.883 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 5.3 mt -53.54 -37.31 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 64.33 111.083 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -66.22 -35.5 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.579 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.3 -54.08 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 73.15 111.071 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . 0.41 HD11 HG23 ' A' ' 412' ' ' ILE . 21.6 mt -52.6 -36.64 56.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.883 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.29 -46.14 90.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 54.03 110.929 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.6 -46.13 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 62.51 110.852 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.664 HD13 ' O ' ' B' ' 380' ' ' LEU . 1.7 tm? -52.72 -37.49 59.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 72.31 110.89 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.24 -34.61 75.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 71.22 111.076 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 2.5 t -72.38 -37.25 68.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 63.33 110.869 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.1 115.94 6.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 71.02 110.937 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -81.04 64.14 5.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 65.43 110.931 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -75.17 139.13 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 70.11 111.092 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -95.77 173.86 7.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 45.24 111.112 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -35.89 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.891 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -53.49 -57.64 9.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.941 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.41 -36.33 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.926 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.88 -51.07 70.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 62.03 111.111 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -35.8 45.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 71.43 110.92 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.22 70.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 54.25 110.919 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . 0.466 ' CG ' HD23 ' B' ' 352' ' ' LEU . 76.6 m80 -95.17 35.54 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 74.34 110.887 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.98 -35.53 59.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 54.13 111.11 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -43.52 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.874 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.5 ttm -55.46 -57.17 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.939 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.662 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.2 mp -56.6 -36.3 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.44 111.138 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.5 m -57.42 -32.21 66.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 55.43 111.15 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -81.55 -38.41 26.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.54 111.158 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' B' ' 397' ' ' ILE . 41.3 mt -51.3 -39.62 57.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 75.11 110.908 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -27.96 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 60.31 110.897 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -75.67 -34.62 60.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 72.14 110.943 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 1.008 HG22 HD11 ' A' ' 365' ' ' ILE . 34.3 pt -74.65 -1.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 52.0 111.116 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -38.23 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.92 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.5 26.37 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 65.42 110.848 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.48 ' CD1' HD13 ' A' ' 368' ' ' LEU . 0.1 OUTLIER -84.21 120.32 26.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 70.24 110.833 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.38 -166.83 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 62.2 110.894 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.575 HG22 ' HB ' ' B' ' 412' ' ' ILE . 11.1 p -118.96 -11.93 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 71.22 111.109 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.0 t 71.96 132.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 64.22 110.839 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -53.63 -35.93 61.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 73.33 110.909 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -53.65 -39.36 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 73.1 111.119 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.575 ' HB ' HG22 ' B' ' 408' ' ' VAL . 9.7 mt -75.06 -34.36 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 71.34 111.111 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.0 mtm -71.32 -39.26 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.903 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -72.17 -37.04 69.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.852 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -69.76 -35.82 75.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 74.32 110.899 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -61.74 -50.16 73.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 61.13 110.856 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 30.5 m -52.16 -45.1 64.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 52.43 111.134 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -45.95 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 74.22 110.883 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.667 HD13 HD12 ' A' ' 380' ' ' LEU . 64.0 mt -74.63 -45.62 43.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 43.52 110.902 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -51.01 -54.76 21.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.909 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -58.87 -35.13 72.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.882 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -57.36 -53.7 55.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.884 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.575 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 93.5 m-85 -70.92 -35.97 72.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 54.34 110.862 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -60.17 -35.05 74.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 71.03 110.886 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -49.03 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 62.42 110.909 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 16.6 ptp -75.11 -33.53 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.864 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 71.21 110.907 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.891 0.377 . . . . 60.3 110.859 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.12 -39.85 63.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 71.15 110.9 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.77 -37.15 65.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 75.24 110.829 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -40.14 96.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 64.41 110.837 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . 0.526 ' NH2' HD22 ' A' ' 383' ' ' LEU . 9.5 ptt180 -76.27 -33.11 59.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.858 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.09 -35.37 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 73.52 110.927 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -33.55 74.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.902 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -79.68 -38.12 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 32.2 mt -59.95 -43.91 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.14 111.126 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -72.31 -45.39 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.845 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.53 92.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 63.02 111.102 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.95 -43.98 73.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 64.34 110.865 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.428 HG22 HD12 ' A' ' 363' ' ' LEU . 36.4 mt -64.48 -32.33 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 73.32 111.097 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -62.81 -52.15 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 71.35 110.864 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.92 -29.29 65.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 61.12 110.888 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.8 p -76.12 -26.73 56.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 73.51 110.878 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.428 HD12 HG22 ' A' ' 359' ' ' ILE . 35.9 mt -94.42 26.75 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 63.44 110.957 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 170.85 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 73.13 110.905 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 0.962 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.8 -40.19 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 75.13 111.112 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 365' ' ' ILE . 10.3 p-10 -90.55 -33.62 15.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.858 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -106.1 36.4 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 65.54 110.907 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' B' ' 406' ' ' PHE . 15.2 tp -57.05 107.39 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 61.41 110.89 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -133.73 76.65 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.15 110.869 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.555 ' O ' HD12 ' A' ' 374' ' ' ILE . 11.3 m -51.61 -29.21 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 73.32 111.097 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.81 -36.77 49.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 71.21 110.878 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -75.89 -35.25 59.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.883 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.404 ' SG ' HG23 ' A' ' 359' ' ' ILE . 27.9 t -58.49 -56.33 23.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 70.04 110.858 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 370' ' ' VAL . 2.8 mp -53.29 -35.25 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 55.44 111.142 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.19 -36.3 82.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.873 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.26 -54.58 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.085 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 51.0 mt -55.07 -35.94 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 72.3 110.92 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.5 -36.23 83.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 44.25 110.835 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -50.51 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 34.12 110.853 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.9 tm? -53.75 -34.66 59.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 52.31 110.956 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -63.0 -27.93 69.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 53.33 111.103 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . 0.536 ' O ' HD23 ' A' ' 383' ' ' LEU . 0.2 OUTLIER -93.97 26.22 3.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.846 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 382' ' ' SER . 14.1 mt -120.46 116.4 25.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 63.21 110.901 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -87.75 58.21 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.9 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.93 136.52 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 44.12 111.137 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -80.23 170.22 16.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 72.12 111.164 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -35.26 71.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.23 110.842 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -59.29 5.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 70.25 110.922 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.02 -38.87 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 70.44 110.917 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.22 70.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.136 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 394' ' ' THR . 0.8 OUTLIER -52.92 -40.68 63.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.939 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -61.18 -34.55 75.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 71.12 110.915 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -95.24 35.71 1.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 70.14 110.881 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 391' ' ' GLN . 0.7 OUTLIER -52.46 -35.21 51.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 63.35 111.142 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.27 -50.54 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 65.31 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 48.9 ttp -55.41 -37.94 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.897 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.831 ' HA ' HD12 ' A' ' 400' ' ' LEU . 62.9 mt -70.11 -38.37 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 64.34 111.089 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 19.2 m -61.62 -44.13 97.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.25 111.178 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.2 m -62.02 -36.02 80.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 64.32 111.156 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 397' ' ' ILE . 18.8 mt -58.3 -36.32 73.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.934 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -76.0 -28.56 57.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 75.05 110.925 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -75.61 -35.72 60.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 71.01 110.898 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 0.984 HG22 HD11 ' B' ' 365' ' ' ILE . 35.7 pt -73.38 -1.49 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 75.44 111.116 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -34.18 45.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 64.01 110.849 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.12 -19.77 7.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.862 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.489 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -40.27 117.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 75.04 110.907 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -173.3 133.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.901 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.7 127.77 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 43.23 111.149 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 8.3 t -64.62 172.59 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.815 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -73.63 -31.67 63.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 74.23 110.912 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 28.9 t -53.22 -44.09 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 73.11 111.12 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.569 HD11 ' HB ' ' B' ' 370' ' ' VAL . 73.1 mt -74.11 -42.64 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.129 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 20.2 mtm -59.13 -43.07 91.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.12 110.905 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.2 -33.54 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.545 ' HE3' HG23 ' B' ' 374' ' ' ILE . 22.4 mttm -71.86 -38.26 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.866 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 70.8 p -60.14 -49.79 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 92.7 m -52.45 -34.63 49.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 73.02 111.139 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 29.2 ttp -58.83 -51.29 70.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.87 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.735 ' HG ' HD12 ' B' ' 380' ' ' LEU . 2.6 mm? -74.47 -35.66 63.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.957 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -59.3 -47.26 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.59 -39.46 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 73.14 110.877 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -54.94 -48.04 73.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.823 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 22.2 m-85 -74.98 -36.16 62.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 74.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -55.88 -50.48 70.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 63.42 110.901 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.47 -35.61 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 44.24 110.863 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 8.5 mtm -75.53 -35.09 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 65.35 110.841 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.876 0.37 . . . . 65.44 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.27 -40.49 64.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 74.02 110.912 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.99 -32.22 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.863 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -39.62 90.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 65.45 110.888 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -77.73 -33.18 53.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 64.45 110.874 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.531 ' CD2' HD23 ' B' ' 380' ' ' LEU . 13.5 mt -74.46 -43.61 55.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 63.21 110.939 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -61.02 -35.45 76.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.951 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -78.15 -35.69 48.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 71.42 110.863 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.446 HG23 ' HB1' ' B' ' 376' ' ' ALA . 26.9 mt -64.41 -40.79 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 75.43 111.122 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -72.05 -40.42 68.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 74.23 110.828 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.91 89.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.04 111.111 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.24 -42.25 73.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 74.45 110.868 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.426 HG22 HD12 ' B' ' 363' ' ' LEU . 38.4 mt -65.69 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 62.43 111.122 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -62.86 -51.91 65.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.3 110.905 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -70.56 -29.42 65.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 75.2 110.881 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 13.2 p -76.4 -27.1 56.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.21 110.883 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.426 HD12 HG22 ' B' ' 359' ' ' ILE . 34.9 mt -94.14 26.91 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 45.15 110.897 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.84 171.29 6.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.912 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 0.984 HD11 HG22 ' A' ' 403' ' ' ILE . 5.6 tp -84.91 -39.7 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 74.33 111.137 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -91.02 -33.44 15.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 64.14 110.854 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -106.05 36.49 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 65.1 110.896 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' A' ' 406' ' ' PHE . 15.9 tp -57.02 107.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.964 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -134.41 76.47 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.857 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.577 ' O ' HD12 ' B' ' 374' ' ' ILE . 12.4 m -51.55 -28.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 64.02 111.096 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.58 -36.92 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.902 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -76.21 -34.77 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 64.21 110.888 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 22.5 t -58.07 -56.91 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 61.02 110.911 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.577 HD12 ' O ' ' B' ' 370' ' ' VAL . 2.7 mp -53.18 -34.52 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 64.33 111.133 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.06 -37.66 88.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 75.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.446 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.97 -54.3 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.15 111.138 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 41.4 mt -53.36 -35.43 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 72.3 110.888 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -67.67 -35.4 78.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 54.03 110.877 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.45 -50.95 40.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 62.51 110.917 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.735 HD12 ' HG ' ' A' ' 419' ' ' LEU . 2.8 tm? -54.88 -34.36 62.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 72.31 110.964 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.25 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.109 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.34 26.37 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 63.33 110.805 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 32.3 mt -120.08 113.89 21.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 71.02 110.975 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -84.92 54.44 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 65.43 110.879 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.54 135.64 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 70.11 111.116 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -80.12 171.25 15.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 45.24 111.143 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -35.94 73.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.84 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -59.27 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 74.44 110.904 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.79 -40.17 88.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.937 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.14 -51.03 71.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 62.03 111.103 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . 0.59 ' O ' HG23 ' B' ' 394' ' ' THR . 0.8 OUTLIER -53.41 -38.87 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 71.43 110.888 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -62.7 -35.34 79.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 54.25 110.872 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -95.17 35.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.834 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.59 HG23 ' O ' ' B' ' 391' ' ' GLN . 0.7 OUTLIER -52.6 -34.24 49.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 54.13 111.151 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.34 -50.55 69.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.861 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . 0.498 ' CE ' HD22 ' B' ' 352' ' ' LEU . 53.8 ttp -56.05 -39.42 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.899 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.821 ' HA ' HD12 ' B' ' 400' ' ' LEU . 61.6 mt -67.5 -38.78 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 71.44 111.163 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 19.3 m -62.16 -44.45 96.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 55.43 111.143 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 88.6 m -62.22 -36.3 81.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 71.54 111.156 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' B' ' 397' ' ' ILE . 18.0 mt -57.97 -36.36 72.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.904 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -75.99 -28.7 57.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 60.31 110.877 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -75.44 -35.68 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 72.14 110.891 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.962 HG22 HD11 ' A' ' 365' ' ' ILE . 35.4 pt -73.48 -1.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 52.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -34.57 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.87 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.1 -19.38 7.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 65.42 110.833 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.509 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.43 117.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 70.24 110.844 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -173.13 133.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 62.2 110.864 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.83 127.34 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.148 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 8.3 t -64.3 172.24 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.829 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -73.29 -31.74 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 73.33 110.872 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 27.7 t -53.07 -44.25 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.1 111.135 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.531 HD11 ' HB ' ' A' ' 370' ' ' VAL . 74.7 mt -74.01 -42.43 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.34 111.103 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 19.5 mtm -59.44 -42.44 91.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.13 110.88 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -73.74 -33.41 64.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.929 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . 0.539 ' HE3' HG23 ' A' ' 374' ' ' ILE . 22.4 mttm -72.07 -36.68 69.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.915 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 64.2 p -62.13 -49.08 77.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 61.13 110.866 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.9 m -52.41 -35.23 51.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 52.43 111.141 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 27.7 ttp -59.12 -51.21 71.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.917 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.432 HD22 ' N ' ' B' ' 419' ' ' LEU . 3.2 mm? -73.3 -35.88 66.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 43.52 110.914 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -60.49 -46.92 88.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 75.05 110.911 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -40.4 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.926 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -54.34 -48.39 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.923 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.6 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 21.0 m-85 -74.54 -36.3 63.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 54.34 110.898 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -55.75 -50.28 70.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 71.03 110.908 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -35.57 56.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 62.42 110.9 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 8.4 mtm -75.54 -35.06 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.877 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 71.21 110.897 -179.984 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.899 0.38 . . . . 60.3 110.886 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.64 -39.42 65.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 71.15 110.9 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -35.19 64.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.887 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 10.1 t -69.68 -37.65 76.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 64.41 110.854 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . 0.441 HH11 HD22 ' A' ' 383' ' ' LEU . 8.5 ptp180 -75.38 -34.27 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.873 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.445 HD23 ' CG ' ' A' ' 393' ' ' HIS . 1.4 mp -68.12 -47.36 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.52 110.943 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.31 -29.01 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.892 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -35.51 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.89 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 352' ' ' LEU . 94.4 mt -58.13 -42.29 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 73.14 111.123 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -72.14 -51.03 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.84 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.23 81.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 63.02 111.107 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -55.09 -54.42 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 64.34 110.882 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.441 ' CG1' ' HB3' ' A' ' 376' ' ' ALA . 34.0 mt -64.59 -33.26 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.098 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -52.33 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 71.35 110.907 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -74.82 -30.04 61.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 61.12 110.899 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.6 p -74.56 -7.5 53.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 73.51 110.864 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 42.0 mt -115.58 26.05 10.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 63.44 110.971 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 169.81 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.939 179.816 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 0.993 HD11 HG22 ' B' ' 403' ' ' ILE . 5.9 tp -84.26 -37.91 13.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.13 111.155 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.49 -31.73 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 72.25 110.855 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -109.81 36.53 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 65.54 110.874 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.51 HD13 ' CD2' ' B' ' 406' ' ' PHE . 19.3 tp -53.27 107.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 61.41 110.876 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.96 81.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.15 110.87 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.597 ' HB ' HD11 ' B' ' 412' ' ' ILE . 10.3 m -61.62 -26.82 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.152 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -51.91 -39.6 59.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.892 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -34.2 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.84 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 37.7 t -53.42 -59.07 5.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 70.04 110.901 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.52 -40.18 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 55.44 111.154 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.25 -39.72 76.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.928 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.441 ' HB3' ' CG1' ' A' ' 359' ' ' ILE . . . -76.83 -50.16 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.09 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.459 HD11 HG23 ' B' ' 412' ' ' ILE . 62.4 mt -52.18 -40.5 61.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 72.3 110.947 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -35.5 79.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 44.25 110.858 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -64.08 -50.02 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 34.12 110.858 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 1.007 HD23 HD13 ' B' ' 419' ' ' LEU . 7.0 tp -53.75 -48.87 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 52.31 110.913 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.58 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -54.62 -25.8 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 53.33 111.098 179.778 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.1 t -80.66 -33.04 35.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 74.33 110.835 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.441 HD22 HH11 ' A' ' 351' ' ' ARG . 62.7 mt -75.26 114.53 13.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 63.21 110.901 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -77.07 63.14 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.896 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . 0.498 HG23 ' HB3' ' A' ' 389' ' ' GLN . 7.0 p -66.94 134.91 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 44.12 111.104 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -88.44 174.02 8.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 72.12 111.125 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -39.25 85.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.854 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -59.04 -46.79 87.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 70.25 110.937 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . 0.498 ' HB3' HG23 ' A' ' 385' ' ' VAL . 0.4 OUTLIER -73.19 -42.64 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 70.44 110.932 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.5 -49.35 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.076 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.93 -36.18 48.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.907 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -69.97 -35.67 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.12 110.895 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.445 ' CG ' HD23 ' A' ' 352' ' ' LEU . 76.9 m80 -95.4 35.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 70.14 110.838 179.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.544 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.1 OUTLIER -51.55 -40.1 59.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 63.35 111.135 -179.933 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -55.79 -44.11 77.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 65.31 110.865 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 1.1 ttm -56.09 -46.11 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.899 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.753 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.2 mt -62.32 -44.54 99.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 64.34 111.154 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 17.6 m -54.22 -36.31 63.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 71.25 111.167 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.1 m -69.19 -35.75 76.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 64.32 111.138 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 397' ' ' ILE . 19.4 mt -61.38 -35.7 78.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 73.43 110.914 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -76.3 -28.63 57.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.05 110.948 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -75.64 -34.84 60.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 71.01 110.903 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.029 HG22 HD11 ' B' ' 365' ' ' ILE . 37.1 pt -73.99 -1.78 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.44 111.161 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -33.56 40.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 64.01 110.882 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.24 -18.52 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.899 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.49 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.8 OUTLIER -40.89 121.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.918 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.44 137.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.88 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.19 131.67 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 43.23 111.123 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.6 t -66.9 171.16 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.868 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -72.72 -34.63 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.894 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.1 p -53.23 -40.83 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 73.11 111.137 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' B' ' 370' ' ' VAL . 93.7 mt -73.67 -48.77 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.096 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 12.7 mtm -57.3 -33.73 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 65.12 110.867 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -49.35 26.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.863 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -62.65 -38.06 88.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.892 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 78.1 p -55.16 -50.22 69.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.836 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 60.7 m -53.93 -45.59 71.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 73.02 111.14 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.8 tpt -51.68 -49.73 61.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.885 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 1.013 HD13 HD23 ' B' ' 380' ' ' LEU . 32.6 mt -71.65 -35.86 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 71.2 110.937 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -61.81 -60.68 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.932 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -56.86 -39.81 74.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 73.14 110.923 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -53.2 -46.05 68.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.918 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -75.26 -36.18 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -52.88 -57.9 8.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.42 110.883 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -51.93 -35.4 45.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 44.24 110.965 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.78 -34.82 64.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.873 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.455 ' CZ ' HD13 ' B' ' 397' ' ' ILE . 3.3 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.35 110.885 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.819 0.342 . . . . 65.44 110.86 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -40.38 64.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 74.02 110.85 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -35.27 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 75.42 110.886 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 9.9 t -69.22 -38.41 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 65.45 110.832 -179.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -75.11 -34.26 61.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 64.45 110.928 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' B' ' 383' ' ' LEU . 1.6 mp -67.76 -47.8 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 63.21 110.871 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.96 -28.99 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 64.41 110.924 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -35.92 57.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.908 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' B' ' 352' ' ' LEU . 88.5 mt -58.07 -42.03 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 75.43 111.119 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -71.94 -51.19 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.824 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.29 -42.12 81.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 75.04 111.101 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -54.99 -54.26 45.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.866 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.453 ' CG1' ' HB3' ' B' ' 376' ' ' ALA . 34.7 mt -64.63 -34.22 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 62.43 111.142 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -54.22 -52.18 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.3 110.884 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -74.84 -30.24 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.885 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.7 p -74.13 -7.63 53.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 71.21 110.814 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 47.8 mt -115.75 26.18 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 45.15 110.872 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 170.06 9.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.888 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.029 HD11 HG22 ' A' ' 403' ' ' ILE . 5.7 tp -84.29 -38.43 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.117 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.36 -31.64 15.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 64.14 110.878 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -109.75 36.55 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 65.1 110.914 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 406' ' ' PHE . 18.6 tp -53.38 107.4 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.923 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.1 81.85 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.903 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' A' ' 412' ' ' ILE . 10.7 m -62.06 -26.54 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 64.02 111.127 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -51.88 -39.58 59.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.891 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -34.36 59.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.82 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 47.2 t -53.24 -58.79 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 61.02 110.889 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.69 -40.45 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 64.33 111.079 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.92 -40.12 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 75.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.453 ' HB3' ' CG1' ' B' ' 359' ' ' ILE . . . -76.86 -49.77 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 73.15 111.129 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . 0.483 HD11 HG23 ' A' ' 412' ' ' ILE . 62.0 mt -52.15 -40.67 61.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.937 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -34.94 77.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 54.03 110.819 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -64.16 -49.41 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 62.51 110.869 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 1.013 HD23 HD13 ' A' ' 419' ' ' LEU . 7.6 tp -53.98 -49.91 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.904 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . 0.518 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -54.14 -25.98 25.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.129 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.1 t -79.73 -33.03 41.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 63.33 110.881 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' B' ' 352' ' ' LEU . 64.6 mt -76.02 115.06 15.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 71.02 110.956 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -77.16 63.32 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 65.43 110.906 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' B' ' 389' ' ' GLN . 7.0 p -66.93 134.9 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 70.11 111.13 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.5 t -88.51 173.77 8.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 45.24 111.116 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.11 88.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.841 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.16 -46.04 86.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 74.44 110.905 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . 0.493 ' HB3' HG23 ' B' ' 385' ' ' VAL . 0.4 OUTLIER -73.93 -41.47 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.92 -179.93 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.13 -49.78 75.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 62.03 111.101 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -51.74 -36.15 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 71.43 110.911 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -69.51 -36.01 76.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 54.25 110.892 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -95.41 35.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.813 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.527 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.1 OUTLIER -51.76 -40.41 60.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 54.13 111.151 -179.915 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -55.52 -41.59 73.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.94 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -49.2 77.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.908 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.75 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.2 mt -58.85 -44.84 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 71.44 111.124 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . 0.412 HG22 ' HE2' ' B' ' 402' ' ' LYS . 15.5 m -54.01 -36.29 62.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 55.43 111.171 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.2 m -69.53 -36.12 76.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 71.54 111.165 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' B' ' 397' ' ' ILE . 17.1 mt -62.2 -35.12 77.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.934 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.22 -28.8 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 60.31 110.864 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . 0.412 ' HE2' HG22 ' B' ' 398' ' ' THR . 46.6 mttm -75.46 -35.76 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 72.14 110.882 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.993 HG22 HD11 ' A' ' 365' ' ' ILE . 36.9 pt -72.96 -1.82 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 52.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.86 -34.25 45.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.35 110.816 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.18 -20.04 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 65.42 110.818 -179.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.51 ' CD2' HD13 ' A' ' 368' ' ' LEU . 0.3 OUTLIER -40.2 120.38 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 70.24 110.886 -179.912 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.33 134.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.2 110.879 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.4 p -59.22 134.4 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 71.22 111.147 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.8 t -70.26 172.42 8.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 64.22 110.879 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -73.01 -34.65 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.898 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . 0.409 HG13 HG13 ' B' ' 412' ' ' ILE . 5.3 p -53.09 -40.97 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 73.1 111.105 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.597 HD11 ' HB ' ' A' ' 370' ' ' VAL . 94.7 mt -73.65 -48.66 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 71.34 111.14 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.7 mtm -57.37 -33.44 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.892 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -51.16 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.862 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -61.08 -38.77 87.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 74.32 110.852 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 78.6 p -55.09 -50.1 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 61.13 110.837 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 61.7 m -52.76 -45.89 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 52.43 111.149 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -51.74 -55.01 22.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 74.22 110.885 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 1.007 HD13 HD23 ' A' ' 380' ' ' LEU . 36.0 mt -66.46 -35.94 81.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 43.52 110.879 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -61.15 -61.25 2.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.938 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -58.18 -38.8 77.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 72.53 110.86 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -53.18 -46.01 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.924 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -75.46 -35.85 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 54.34 110.911 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -52.81 -57.76 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 71.03 110.925 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -51.85 -35.43 44.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 62.42 110.913 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.73 -34.36 64.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.867 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 71.21 110.868 -179.924 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.905 0.383 . . . . 60.3 110.893 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.8 tpt -53.47 -43.65 68.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 71.15 110.858 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.45 -36.04 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.881 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 57.9 m -63.87 -41.14 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.843 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -33.33 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.879 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.709 ' HA ' HD12 ' A' ' 355' ' ' ILE . 13.0 mt -71.23 -46.99 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.52 110.916 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -58.11 -27.55 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.925 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -77.02 -36.5 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.878 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 352' ' ' LEU . 23.3 mt -64.04 -36.96 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 73.14 111.109 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -71.99 -46.59 56.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.893 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.83 -39.42 83.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 63.02 111.099 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.98 -42.17 72.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 64.34 110.857 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.423 HG22 HD12 ' A' ' 363' ' ' LEU . 25.0 mt -74.4 -29.2 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 73.32 111.132 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -58.66 -52.2 66.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 71.35 110.911 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -73.35 -31.22 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 61.12 110.877 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -74.61 -6.24 47.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 73.51 110.86 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.423 HD12 HG22 ' A' ' 359' ' ' ILE . 38.9 mt -117.28 26.01 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 63.44 110.875 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 169.34 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.893 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 1.029 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.46 -38.61 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.13 111.147 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.16 -32.68 15.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.25 110.875 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -109.97 36.55 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 65.54 110.865 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' B' ' 406' ' ' PHE . 16.7 tp -53.18 107.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 61.41 110.914 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -129.05 77.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.902 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.77 ' HB ' HD11 ' B' ' 412' ' ' ILE . 15.3 m -59.22 -28.31 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 73.32 111.128 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -52.14 -39.19 59.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.873 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -33.95 60.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.85 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 32.7 t -53.37 -58.28 7.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 70.04 110.876 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.42 -47.36 58.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 55.44 111.122 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.35 -35.05 36.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.874 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.535 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.95 -51.22 11.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.24 111.078 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.88 -35.05 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 72.3 110.869 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -49.03 76.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 44.25 110.841 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.86 -46.47 87.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 34.12 110.888 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.597 HD11 ' HZ ' ' B' ' 423' ' ' PHE . 1.4 tm? -52.3 -47.73 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 52.31 110.948 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.68 76.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 53.33 111.05 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -73.71 -36.13 65.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.849 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 58.7 mt -67.71 110.58 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 63.21 110.916 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -77.37 61.52 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 74.02 110.923 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.22 138.28 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 44.12 111.152 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -93.92 173.16 7.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 72.12 111.102 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 11.6 tpt -57.04 -38.55 73.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.851 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -51.85 -59.17 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 70.25 110.895 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.19 -36.17 82.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 70.44 110.885 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.39 -49.31 74.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 73.34 111.14 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.46 -35.83 41.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.892 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 -34.09 59.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.853 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -95.09 35.59 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 70.14 110.875 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.576 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.9 OUTLIER -58.15 -35.18 71.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 63.35 111.127 -179.873 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.04 -42.89 91.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.884 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.617 ' HE1' HD22 ' A' ' 352' ' ' LEU . 11.9 ttp -55.19 -49.05 72.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.914 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.3 mt -58.23 -42.36 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 64.34 111.09 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 17.5 m -54.05 -37.52 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 71.25 111.173 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 73.5 m -70.36 -42.08 72.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 64.32 111.16 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 397' ' ' ILE . 32.0 mt -53.49 -38.98 64.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.932 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -76.23 -28.76 57.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 75.05 110.937 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -75.59 -34.51 60.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 71.01 110.874 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.061 HG22 HD11 ' B' ' 365' ' ' ILE . 40.8 pt -75.14 -2.22 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.44 111.098 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -34.5 54.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 64.01 110.929 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.75 -12.58 9.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.891 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.588 ' CD1' HD13 ' B' ' 368' ' ' LEU . 3.4 t80 -44.27 115.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.928 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -174.04 138.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.945 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.1 p -67.49 134.4 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 43.23 111.129 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 36.9 t -69.22 168.28 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.85 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -70.74 -36.11 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.903 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.5 p -53.42 -38.62 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 73.11 111.131 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.64 HD11 ' HB ' ' B' ' 370' ' ' VAL . 91.1 mt -75.0 -45.34 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.148 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 15.2 mtm -59.33 -51.32 70.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.12 110.882 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -62.91 -35.56 80.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.831 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -70.91 -38.62 72.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 75.21 110.862 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . 0.479 ' HB2' HD11 ' B' ' 403' ' ' ILE . 49.2 p -61.04 -47.46 86.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 71.33 110.914 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 71.9 m -53.33 -41.42 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 73.02 111.099 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.7 ttp -55.21 -46.66 75.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.21 110.894 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.445 HD22 HD12 ' B' ' 380' ' ' LEU . 67.5 mt -74.32 -41.48 61.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 71.2 110.913 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -53.07 -54.47 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.945 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -63.08 -36.07 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 73.14 110.899 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -53.45 -53.52 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.898 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.576 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 21.6 m-85 -71.39 -36.02 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 74.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -56.35 -45.12 80.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 63.42 110.912 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.17 -35.43 77.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 44.24 110.923 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 17.0 mtm -76.05 -35.18 59.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 74.21 110.913 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 65.35 110.877 -179.931 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.915 0.388 . . . . 65.44 110.901 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.8 tpt -53.22 -43.61 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 74.02 110.877 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.99 -36.88 67.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.858 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 57.8 m -62.62 -41.37 98.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 65.45 110.842 -179.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -33.67 62.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 64.45 110.884 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.8 ' HA ' HD12 ' B' ' 355' ' ' ILE . 13.8 mt -71.33 -47.64 55.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 63.21 110.9 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -58.37 -29.17 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.41 110.901 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -74.69 -37.7 62.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 71.42 110.843 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' B' ' 352' ' ' LEU . 13.7 mt -63.38 -35.95 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.43 111.116 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -71.54 -44.02 65.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.87 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.58 77.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 75.04 111.085 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.13 -42.93 73.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.89 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.411 HG22 HD12 ' B' ' 363' ' ' LEU . 29.6 mt -71.97 -34.49 50.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 62.43 111.13 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -56.71 -48.05 78.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 74.3 110.887 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.65 -31.54 59.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.88 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 5.8 p -75.82 -5.68 47.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.849 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.411 HD12 HG22 ' B' ' 359' ' ' ILE . 45.8 mt -118.1 26.39 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 45.15 110.911 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 170.97 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.917 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.061 HD11 HG22 ' A' ' 403' ' ' ILE . 5.2 tp -84.4 -40.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 74.33 111.134 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.401 ' N ' HG23 ' B' ' 365' ' ' ILE . 10.4 p-10 -91.29 -32.27 15.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 64.14 110.863 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -109.05 36.47 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 65.1 110.882 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.588 HD13 ' CD1' ' A' ' 406' ' ' PHE . 15.7 tp -53.39 107.4 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.919 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -131.76 81.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.857 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.64 ' HB ' HD11 ' A' ' 412' ' ' ILE . 8.9 m -61.69 -26.79 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 64.02 111.128 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -51.96 -39.54 59.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.842 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -33.79 60.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 64.21 110.899 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 23.7 t -53.12 -57.93 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 61.02 110.891 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.49 -46.17 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 64.33 111.113 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.67 -35.44 42.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.65 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.9 -50.27 13.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 73.15 111.132 179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . 0.491 HD11 HG23 ' A' ' 412' ' ' ILE . 19.2 mt -52.09 -35.55 48.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.878 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -48.92 74.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 54.03 110.868 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.41 -46.63 86.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 62.51 110.866 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.576 HD11 ' HZ ' ' A' ' 423' ' ' PHE . 0.9 OUTLIER -52.47 -50.48 62.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.925 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -58.92 -34.02 71.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 71.22 111.075 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -74.37 -36.69 63.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 63.33 110.851 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.33 110.51 3.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 71.02 110.895 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.7 60.68 2.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 65.43 110.91 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -69.76 137.92 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 70.11 111.114 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -92.91 173.33 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 45.24 111.11 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 11.5 tpt -57.49 -38.43 74.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 75.31 110.93 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -51.78 -58.19 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.907 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.1 -36.24 81.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.906 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.61 75.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 62.03 111.124 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -52.0 -35.87 48.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 71.43 110.904 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -35.25 61.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 54.25 110.873 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -95.17 35.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.844 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.475 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.9 OUTLIER -58.3 -35.32 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 54.13 111.128 -179.86 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -41.27 85.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.866 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . 0.686 ' HE1' HD22 ' B' ' 352' ' ' LEU . 8.9 ttp -55.36 -52.06 64.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.844 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.75 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.9 mp -54.68 -44.18 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 71.44 111.142 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 19.8 m -54.03 -35.28 61.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 55.43 111.194 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.5 m -72.68 -40.42 66.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 71.54 111.2 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' B' ' 397' ' ' ILE . 19.4 mt -57.44 -37.32 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.923 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -75.65 -28.61 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 60.31 110.904 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.69 -36.25 60.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.871 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 1.029 HG22 HD11 ' A' ' 365' ' ' ILE . 38.5 pt -73.23 -0.84 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 52.0 111.168 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -35.12 45.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.903 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.53 -19.0 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 65.42 110.848 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -39.93 117.66 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 70.24 110.911 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.35 141.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 62.2 110.936 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.418 HG13 ' CE2' ' A' ' 406' ' ' PHE . 15.6 m -69.4 133.86 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 71.22 111.116 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 36.1 t -69.11 164.7 21.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 64.22 110.883 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -63.7 -35.49 80.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.947 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -53.63 -36.52 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 73.1 111.12 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.77 HD11 ' HB ' ' A' ' 370' ' ' VAL . 91.5 mt -74.47 -46.64 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.34 111.137 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 14.1 mtm -61.34 -52.26 65.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 75.13 110.903 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.33 -36.17 75.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.925 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -71.19 -39.37 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.874 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . 0.506 ' HB2' HD11 ' A' ' 403' ' ' ILE . 41.1 p -60.42 -48.42 81.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 61.13 110.885 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 57.6 m -52.5 -42.36 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 52.43 111.174 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 3.7 ttp -54.73 -46.47 74.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.22 110.913 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.507 HD22 HD12 ' A' ' 380' ' ' LEU . 60.2 mt -74.03 -42.69 59.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 43.52 110.923 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -51.14 -57.52 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 75.05 110.92 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -58.86 -35.34 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.869 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -54.55 -53.53 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.95 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.597 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 94.0 m-85 -70.52 -37.01 74.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 54.34 110.861 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -56.81 -45.88 81.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 71.03 110.927 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -35.94 76.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 62.42 110.901 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 17.7 mtm -76.63 -34.98 58.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.894 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.94 -179.985 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.882 0.372 . . . . 60.3 110.867 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.27 -38.58 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 71.15 110.922 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.56 -34.25 62.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 75.24 110.847 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 28.6 t -70.6 -37.46 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.879 -179.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . 0.661 ' CZ ' HD21 ' A' ' 383' ' ' LEU . 9.7 ptm180 -75.0 -34.15 61.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 74.54 110.93 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.558 ' HA ' HD12 ' A' ' 355' ' ' ILE . 0.9 OUTLIER -69.87 -47.54 62.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.895 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -57.6 -30.77 65.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.904 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -77.1 -37.21 54.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.873 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' A' ' 352' ' ' LEU . 20.3 mt -64.96 -41.87 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 73.14 111.129 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -72.32 -41.6 66.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.855 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.72 77.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 63.02 111.106 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.86 -45.63 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 64.34 110.888 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 33.7 mt -66.0 -32.54 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 73.32 111.111 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -54.54 -52.34 62.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 71.35 110.916 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -75.42 -26.9 58.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 61.12 110.857 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.4 p -77.52 -4.62 46.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.51 110.88 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 50.8 mt -120.11 25.75 9.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 63.44 110.965 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 169.91 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.13 110.925 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 1.042 HD11 HG22 ' B' ' 403' ' ' ILE . 6.0 tp -84.43 -38.49 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.13 111.131 179.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -92.43 -32.2 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.919 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -110.88 36.6 3.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 65.54 110.817 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 18.8 tp -53.15 107.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 61.41 110.845 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -127.77 76.96 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 74.15 110.896 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.761 ' HB ' HD11 ' B' ' 412' ' ' ILE . 15.0 m -58.83 -28.25 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.079 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -41.48 62.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.9 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -75.73 -35.3 60.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.871 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 49.3 t -53.72 -45.94 70.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 70.04 110.88 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . 0.508 HG23 ' HE3' ' B' ' 415' ' ' LYS . 4.1 mt -65.52 -48.19 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 55.44 111.132 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -51.7 -34.16 37.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.873 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.427 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.74 -53.84 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.094 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 20.6 mt -51.99 -35.78 47.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 72.3 110.9 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -44.09 91.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 44.25 110.836 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -46.59 89.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 34.12 110.901 -179.893 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.552 HD11 ' HZ ' ' B' ' 423' ' ' PHE . 1.1 tm? -52.23 -53.84 38.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 52.31 110.903 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.487 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -56.39 -35.24 67.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 53.33 111.088 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 2.3 t -66.27 -34.75 78.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.838 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.661 HD21 ' CZ ' ' A' ' 351' ' ' ARG . 84.3 mt -73.79 139.65 45.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 63.21 110.953 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -101.77 56.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.02 110.913 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.81 140.6 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 44.12 111.148 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.1 t -98.39 170.13 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.12 111.17 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -34.9 56.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.895 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -52.74 -59.25 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 70.25 110.943 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -36.38 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 70.44 110.903 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.99 84.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.34 111.104 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . 0.549 ' O ' HG23 ' A' ' 394' ' ' THR . 21.7 mt-30 -51.42 -36.19 42.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.942 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -75.51 -34.15 60.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.906 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.518 ' CG ' HD23 ' A' ' 352' ' ' LEU . 74.0 m80 -95.18 35.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 70.14 110.902 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 391' ' ' GLN . 1.8 p -57.95 -34.98 70.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 63.35 111.149 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.05 -42.61 90.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 65.31 110.892 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 36.5 ttp -55.32 -49.63 71.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.857 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.2 mt -57.41 -41.89 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 64.34 111.106 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 2.3 m -54.13 -37.53 64.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 71.25 111.186 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 91.5 m -70.95 -40.82 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 64.32 111.097 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 397' ' ' ILE . 36.7 mt -54.27 -38.03 65.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.925 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -76.48 -28.55 56.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.912 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -75.51 -34.64 60.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 71.01 110.89 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.055 HG22 HD11 ' B' ' 365' ' ' ILE . 38.2 pt -74.49 -2.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.163 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -34.13 58.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 64.01 110.878 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.43 -12.7 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.867 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.582 ' CE2' HD13 ' B' ' 368' ' ' LEU . 5.9 t80 -44.44 114.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.912 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -173.29 139.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.879 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.1 p -66.31 134.59 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 43.23 111.123 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.1 t -68.35 171.62 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.852 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -74.67 -32.94 62.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.925 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -58.62 -37.08 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 73.11 111.178 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.626 HD11 ' HB ' ' B' ' 370' ' ' VAL . 84.7 mt -75.16 -45.18 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.31 111.16 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 15.4 mtm -58.54 -49.88 75.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 65.12 110.919 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.05 -33.99 77.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 73.25 110.891 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.514 ' HE3' HG23 ' B' ' 374' ' ' ILE . 31.8 mttm -70.95 -35.83 72.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.886 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . 0.453 ' HB2' HD11 ' B' ' 403' ' ' ILE . 52.4 p -63.63 -47.83 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.869 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 91.8 m -52.58 -41.71 63.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 73.02 111.122 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -52.21 -49.92 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.884 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' B' ' 381' ' ' ALA . 53.0 mt -74.35 -38.52 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 71.2 110.907 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -55.22 -45.46 75.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.975 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -36.24 70.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.936 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -55.48 -51.01 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.907 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.493 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 76.9 m-85 -73.76 -35.39 65.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 74.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -62.83 -36.37 82.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 63.42 110.91 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.27 -46.58 88.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 44.24 110.892 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 14.7 ptp -78.03 -33.33 51.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.843 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.451 ' CZ ' HG22 ' B' ' 394' ' ' THR . 1.9 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 65.35 110.834 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.859 0.361 . . . . 65.44 110.868 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.43 -38.44 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 74.02 110.884 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.18 -34.67 63.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.42 110.865 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 28.9 t -69.82 -35.9 75.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 65.45 110.897 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -76.63 -32.38 57.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 64.45 110.882 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.467 HD23 ' CG ' ' B' ' 393' ' ' HIS . 1.0 OUTLIER -73.76 -43.38 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 63.21 110.945 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -61.06 -40.45 93.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.959 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -70.88 -35.23 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 71.42 110.899 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 33.1 mt -65.4 -41.49 91.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 75.43 111.136 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -72.29 -38.39 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.852 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.83 -39.48 72.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 75.04 111.079 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.81 -43.35 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.897 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.405 HG23 ' SG ' ' B' ' 373' ' ' CYS . 30.5 mt -67.02 -35.5 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 62.43 111.106 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -55.96 -49.6 73.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.888 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -74.95 -29.52 60.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 75.2 110.901 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.1 p -77.78 -3.87 43.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 71.21 110.834 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 50.3 mt -120.61 26.28 9.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 45.15 110.94 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 171.24 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 72.41 110.88 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.055 HD11 HG22 ' A' ' 403' ' ' ILE . 5.6 tp -84.48 -39.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.116 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.407 ' N ' HG23 ' B' ' 365' ' ' ILE . 12.4 p-10 -91.97 -31.78 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 64.14 110.842 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -109.87 36.45 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 65.1 110.88 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.582 HD13 ' CE2' ' A' ' 406' ' ' PHE . 17.4 tp -53.1 107.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.939 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -129.85 80.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.12 110.838 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.626 ' HB ' HD11 ' A' ' 412' ' ' ILE . 8.8 m -61.18 -26.47 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 64.02 111.095 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -41.71 62.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.914 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -75.85 -35.01 60.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 64.21 110.876 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.405 ' SG ' HG23 ' B' ' 359' ' ' ILE . 41.9 t -53.71 -45.67 70.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 61.02 110.905 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.514 HG23 ' HE3' ' A' ' 415' ' ' LYS . 4.4 mt -65.41 -47.66 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 64.33 111.166 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.92 -35.45 45.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 75.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -74.0 -54.01 8.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 73.15 111.079 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.16 -35.98 50.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.945 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -42.24 95.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 54.03 110.877 179.836 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -47.82 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 62.51 110.886 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.493 HD11 ' HZ ' ' A' ' 423' ' ' PHE . 1.2 tm? -52.4 -54.36 33.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 72.31 110.888 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . 0.459 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -55.3 -34.93 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.103 179.84 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 2.3 t -68.32 -35.19 77.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 63.33 110.865 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.01 139.25 46.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 71.02 110.903 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -101.28 56.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 65.43 110.956 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.06 140.54 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 70.11 111.149 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -97.91 170.94 8.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 45.24 111.171 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -35.65 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.857 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -52.54 -59.15 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.94 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -36.03 75.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.927 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.27 87.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 62.03 111.085 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . 0.582 ' O ' HG23 ' B' ' 394' ' ' THR . 21.5 mt-30 -51.73 -35.79 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.43 110.887 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -75.5 -34.99 60.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 54.25 110.892 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . 0.467 ' CG ' HD23 ' B' ' 352' ' ' LEU . 72.7 m80 -95.14 35.68 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.837 179.894 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.582 HG23 ' O ' ' B' ' 391' ' ' GLN . 2.8 p -58.64 -37.6 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 54.13 111.128 -179.919 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.77 -42.49 75.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.34 110.901 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . 0.403 ' HE3' HD21 ' B' ' 380' ' ' LEU . 39.7 ttp -55.35 -50.97 68.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.932 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.3 mt -57.55 -36.49 54.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.119 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 2.4 m -57.71 -36.33 71.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 55.43 111.126 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.1 m -74.03 -40.36 62.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 71.54 111.151 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' B' ' 397' ' ' ILE . 49.1 mt -51.98 -38.95 58.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.11 110.899 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -75.75 -28.93 58.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 60.31 110.85 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -74.68 -36.4 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.884 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 1.042 HG22 HD11 ' A' ' 365' ' ' ILE . 35.7 pt -73.38 -0.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 52.0 111.089 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -34.49 41.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 71.35 110.88 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.55 -19.27 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 65.42 110.847 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.479 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -39.83 117.83 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 70.24 110.888 -179.907 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -175.07 142.36 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 62.2 110.888 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 19.4 m -71.28 132.01 33.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.125 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 34.7 t -67.42 164.83 17.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.864 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -63.45 -35.11 79.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 73.33 110.917 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.8 p -54.32 -35.83 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 73.1 111.147 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.761 HD11 ' HB ' ' A' ' 370' ' ' VAL . 95.3 mt -74.68 -47.52 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 71.34 111.165 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.6 mtt -60.89 -50.6 72.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.91 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -61.72 -34.58 76.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.91 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . 0.508 ' HE3' HG23 ' A' ' 374' ' ' ILE . 33.9 mttm -73.02 -35.08 66.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 74.32 110.884 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . 0.497 ' HB2' HD11 ' A' ' 403' ' ' ILE . 36.5 p -63.57 -48.37 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 61.13 110.897 -179.878 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.7 m -52.36 -41.32 62.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 52.43 111.153 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -52.55 -50.35 63.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.22 110.834 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 381' ' ' ALA . 53.9 mt -74.11 -37.86 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 43.52 110.936 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -56.43 -44.05 80.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.05 110.929 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -38.18 65.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 72.53 110.854 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -53.71 -51.09 64.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 71.45 110.9 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.552 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 21.4 m-85 -74.9 -34.24 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 54.34 110.838 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -62.99 -34.82 78.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.03 110.907 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.07 -46.17 91.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 62.42 110.895 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 14.5 ptp -77.55 -33.24 54.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.854 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 71.21 110.872 -179.91 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.88 0.371 . . . . 60.3 110.808 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.8 tpt -53.51 -37.74 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 71.15 110.904 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.61 -35.75 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 75.24 110.891 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 13.1 t -67.95 -37.48 81.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 64.41 110.894 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . 0.443 HH11 HD22 ' A' ' 383' ' ' LEU . 8.5 ptp180 -75.94 -33.84 59.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.54 110.851 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.675 ' HA ' HD12 ' A' ' 355' ' ' ILE . 1.5 mp -71.21 -47.98 54.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.904 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -55.6 -29.8 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 72.33 110.897 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.0 -41.17 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.859 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 352' ' ' LEU . 23.3 mt -58.54 -41.08 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.122 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -72.02 -46.57 56.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.853 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.01 97.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 63.02 111.083 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -55.05 -52.18 64.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 64.34 110.872 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.462 HG22 HD12 ' A' ' 363' ' ' LEU . 45.5 mt -55.7 -35.38 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 73.32 111.14 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -59.26 -47.27 86.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.877 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -75.52 -30.9 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 61.12 110.9 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 7.9 p -78.1 -3.07 40.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.863 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.462 HD12 HG22 ' A' ' 359' ' ' ILE . 51.9 mt -121.45 26.25 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 63.44 110.892 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 171.14 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 73.13 110.874 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 1.072 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.44 -40.81 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 75.13 111.122 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . 0.421 ' N ' HG23 ' A' ' 365' ' ' ILE . 3.6 p30 -92.43 -32.63 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.831 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -109.02 36.27 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 65.54 110.881 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.439 HD13 ' CD1' ' B' ' 406' ' ' PHE . 18.2 tp -53.52 107.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 61.41 110.933 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -125.37 69.21 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.933 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.677 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.7 m -52.23 -29.05 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.14 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -52.02 -41.41 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.881 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -33.78 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 74.44 110.878 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 35.4 t -53.3 -46.16 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 70.04 110.9 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -66.08 -48.2 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 55.44 111.143 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.8 -35.23 43.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.873 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.426 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.83 -54.1 7.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.24 111.064 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 84.2 mt -52.75 -38.98 61.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 72.3 110.893 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -36.05 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 44.25 110.902 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.26 -47.78 66.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 34.12 110.891 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.713 HD12 HD13 ' B' ' 419' ' ' LEU . 3.1 tm? -56.16 -35.72 67.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 52.31 110.953 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.544 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -70.34 -36.49 74.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 53.33 111.114 179.795 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 7.1 t -71.64 -36.45 70.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.854 -179.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.443 HD22 HH11 ' A' ' 351' ' ' ARG . 89.9 mt -63.02 145.7 54.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 63.21 110.864 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -97.59 62.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.896 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.95 136.89 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 44.12 111.096 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -106.68 170.72 7.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 72.12 111.176 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.76 -37.29 59.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.904 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -51.95 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.25 110.94 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -40.14 65.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 70.44 110.949 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.5 75.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.051 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . 0.53 ' O ' HG23 ' A' ' 394' ' ' THR . 1.1 mm100 -52.22 -36.7 52.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 75.25 110.924 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -80.04 -36.06 36.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 71.12 110.878 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.504 ' CG ' HD23 ' A' ' 352' ' ' LEU . 80.3 m80 -96.04 35.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 70.14 110.832 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 391' ' ' GLN . 12.6 p -60.59 -34.16 73.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 63.35 111.089 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.17 -45.77 75.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 65.31 110.894 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 58.8 ttp -59.8 -38.96 83.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.877 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.772 ' HA ' HD12 ' A' ' 400' ' ' LEU . 42.6 mt -69.03 -34.78 65.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 64.34 111.108 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 45.8 m -61.97 -40.88 97.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 71.25 111.135 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 84.8 m -64.79 -37.93 89.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 64.32 111.171 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 397' ' ' ILE . 15.5 mt -53.7 -35.23 60.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.917 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -76.58 -28.53 56.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.901 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -75.82 -35.32 60.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 71.01 110.889 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.071 HG22 HD11 ' B' ' 365' ' ' ILE . 36.3 pt -73.11 -2.18 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.118 179.885 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -34.16 49.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 64.01 110.914 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.43 -20.06 7.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.876 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.594 ' HE1' HG13 ' B' ' 408' ' ' VAL . 0.9 OUTLIER -42.12 117.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.863 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -179.56 136.29 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.926 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.545 HG13 ' HE2' ' B' ' 406' ' ' PHE . 1.4 m -51.63 157.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 43.23 111.102 179.872 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 40.5 t -97.86 155.69 16.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.885 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -51.77 -35.59 44.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.895 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.66 -39.76 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.11 111.134 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.718 HD11 ' HB ' ' B' ' 370' ' ' VAL . 78.8 mt -71.43 -50.34 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.31 111.131 179.895 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 18.3 mtm -60.22 -30.58 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 65.12 110.865 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.38 -53.4 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.896 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -56.95 -39.69 75.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.905 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 90.1 p -55.23 -53.39 56.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.858 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 86.7 m -52.78 -35.7 57.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.09 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -51.43 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.21 110.848 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.737 HD13 HD12 ' B' ' 380' ' ' LEU . 18.7 mt -72.15 -36.02 69.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 71.2 110.897 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -60.12 -44.71 94.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.925 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -72.77 -40.33 66.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.923 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -53.97 -45.66 71.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.906 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.407 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 35.3 m-85 -70.7 -38.56 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 74.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -52.0 -55.38 20.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.898 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -51.93 -35.43 45.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 44.24 110.886 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 27.7 mtm -75.29 -34.45 61.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.21 110.923 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.905 -179.974 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.861 0.362 . . . . 65.44 110.849 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.2 tpt -53.21 -37.92 62.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 74.02 110.913 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.02 -35.73 66.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.832 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.0 t -68.09 -38.31 82.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 65.45 110.839 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -75.86 -35.04 60.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 64.45 110.848 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.748 ' HA ' HD12 ' B' ' 355' ' ' ILE . 11.9 mt -71.47 -48.15 51.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 63.21 110.904 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -56.52 -30.67 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 64.41 110.915 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.37 -41.28 61.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.42 110.881 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' B' ' 352' ' ' LEU . 14.8 mt -59.5 -41.28 84.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.43 111.129 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -68.93 -44.06 73.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.875 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.51 93.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 75.04 111.089 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -55.19 -50.31 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.898 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.471 HG22 HD12 ' B' ' 363' ' ' LEU . 47.0 mt -57.44 -35.22 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 62.43 111.083 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -59.13 -47.33 85.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 74.3 110.873 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -75.67 -30.8 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.876 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 7.1 p -78.38 -2.56 38.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.895 -179.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.471 HD12 HG22 ' B' ' 359' ' ' ILE . 47.9 mt -121.45 25.77 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 45.15 110.967 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 170.29 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.914 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.071 HD11 HG22 ' A' ' 403' ' ' ILE . 6.1 tp -84.63 -39.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.115 179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.404 ' N ' HG23 ' B' ' 365' ' ' ILE . 3.6 p30 -92.74 -32.14 14.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 64.14 110.875 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -110.9 36.67 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.878 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 406' ' ' PHE . 18.3 tp -53.35 107.54 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 73.24 110.93 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -124.66 68.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.12 110.902 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.718 ' HB ' HD11 ' A' ' 412' ' ' ILE . 6.6 m -51.82 -29.51 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 64.02 111.139 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -51.81 -41.56 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.44 110.857 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -33.79 60.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.895 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.8 t -53.16 -46.78 69.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.889 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.57 -47.41 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.33 111.145 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.13 -35.63 48.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 75.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.611 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.66 -53.95 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.15 111.102 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 84.5 mt -52.24 -36.06 51.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.892 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -35.86 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 54.03 110.847 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.98 -50.22 62.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 62.51 110.888 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.737 HD12 HD13 ' A' ' 419' ' ' LEU . 3.1 tm? -54.8 -37.76 66.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 72.31 110.887 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . 0.535 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -68.37 -37.96 80.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 71.22 111.113 179.797 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 7.1 t -71.4 -36.66 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 63.33 110.861 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.14 145.35 55.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 71.02 110.937 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -97.16 61.93 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 65.43 110.914 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.67 136.72 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 70.11 111.088 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.3 t -106.82 170.76 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 45.24 111.136 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -37.75 56.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.857 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -52.04 64.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.941 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -40.39 66.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.12 110.958 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.73 74.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 62.03 111.108 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . 0.573 ' O ' HG23 ' B' ' 394' ' ' THR . 1.1 mm100 -52.02 -36.47 50.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.928 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -79.91 -36.26 36.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 54.25 110.917 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -95.53 35.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.861 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.573 HG23 ' O ' ' B' ' 391' ' ' GLN . 12.7 p -59.87 -34.43 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 54.13 111.1 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -47.17 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 74.34 110.911 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 58.9 ttp -58.25 -40.39 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.866 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.763 ' HA ' HD12 ' B' ' 400' ' ' LEU . 44.6 mt -67.49 -35.04 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 71.44 111.14 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 45.0 m -61.93 -41.11 97.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 55.43 111.119 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.5 m -64.44 -38.44 91.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 71.54 111.172 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' B' ' 397' ' ' ILE . 16.5 mt -53.19 -35.04 59.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.926 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -76.75 -28.88 55.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 60.31 110.871 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -76.02 -34.87 59.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.14 110.913 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 1.072 HG22 HD11 ' A' ' 365' ' ' ILE . 41.0 pt -73.54 -1.91 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 52.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -33.14 37.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.837 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.5 -20.39 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 65.42 110.883 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.545 ' HE2' HG13 ' A' ' 408' ' ' VAL . 0.6 OUTLIER -42.83 115.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 70.24 110.895 -179.902 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -177.4 132.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 62.2 110.881 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.594 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.4 m -53.58 144.77 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.133 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 39.9 t -84.29 158.68 21.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.859 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -54.54 -37.72 65.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.33 110.903 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 5.6 p -56.38 -40.7 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 73.1 111.173 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.677 HD11 ' HB ' ' A' ' 370' ' ' VAL . 78.3 mt -71.14 -49.45 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 71.34 111.172 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.3 mtm -60.76 -31.19 70.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 75.13 110.897 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.93 -52.62 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 74.42 110.901 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -58.18 -39.5 79.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.32 110.909 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 91.7 p -55.18 -53.05 60.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 61.13 110.859 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.3 m -52.68 -36.56 57.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 52.43 111.153 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -51.41 70.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.95 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.713 HD13 HD12 ' A' ' 380' ' ' LEU . 18.0 mt -71.78 -36.62 70.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 43.52 110.958 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.12 -44.71 94.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.877 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -72.57 -40.67 66.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 72.53 110.849 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -53.85 -45.88 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 71.45 110.945 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.435 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 32.7 m-85 -70.27 -38.32 75.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 54.34 110.87 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -52.29 -54.78 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 71.03 110.859 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -52.31 -35.31 50.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.859 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 27.9 mtm -75.26 -34.45 61.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.876 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . 0.473 ' HZ ' HG22 ' A' ' 394' ' ' THR . 9.9 m-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 71.21 110.858 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 34.8 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.846 0.355 . . . . 60.3 110.821 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.2 tpt -63.32 -36.27 83.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 71.15 110.916 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -73.51 -37.1 65.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.894 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 19.2 m -63.22 -39.44 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 64.41 110.846 -179.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . 0.64 HH11 HD22 ' A' ' 383' ' ' LEU . 8.3 ptp180 -76.14 -32.92 59.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.861 -179.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.34 -32.95 61.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.886 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -32.86 70.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.934 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -78.75 -37.84 40.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.847 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 36.1 mt -61.03 -37.56 77.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.101 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.43 -49.93 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.873 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.52 91.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 63.02 111.105 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -54.89 -37.96 66.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 64.34 110.866 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 30.5 mt -74.12 -30.28 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.32 111.132 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -52.57 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.873 179.886 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -72.81 -27.13 61.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 61.12 110.884 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.5 p -77.2 -13.19 59.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 73.51 110.873 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.459 HD21 ' SG ' ' A' ' 373' ' ' CYS . 54.2 mt -113.75 25.94 10.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 63.44 110.926 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 169.5 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.924 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 1.038 HD11 HG22 ' B' ' 403' ' ' ILE . 6.1 tp -84.71 -41.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 75.13 111.118 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . 0.449 ' N ' HG23 ' A' ' 365' ' ' ILE . 38.4 t0 -91.18 -32.23 15.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.869 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -109.7 36.18 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 65.54 110.896 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.581 HD13 ' CD2' ' B' ' 406' ' ' PHE . 14.7 tp -55.38 107.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 61.41 110.924 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -125.23 71.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.876 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.65 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.7 m -51.05 -30.38 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 73.32 111.186 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -52.06 -40.29 60.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 71.21 110.887 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -33.52 59.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.854 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.459 ' SG ' HD21 ' A' ' 363' ' ' LEU . 11.0 t -53.26 -55.08 27.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 70.04 110.883 -179.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -59.11 -37.01 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 55.44 111.144 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.23 -36.76 78.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.904 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.83 -53.64 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.24 111.126 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.411 HD22 HD12 ' B' ' 419' ' ' LEU . 69.4 mt -52.15 -35.79 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.3 110.908 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.1 -48.86 78.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 44.25 110.919 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -57.55 -49.93 74.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 34.12 110.922 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.679 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.2 tm? -52.59 -36.87 56.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 52.31 110.924 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.459 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -70.38 -35.67 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 53.33 111.083 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.77 -35.63 62.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.873 -179.779 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.64 HD22 HH11 ' A' ' 351' ' ' ARG . 88.1 mt -68.78 119.32 12.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 63.21 110.882 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -79.92 71.51 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.02 110.868 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.4 p -79.89 144.08 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 44.12 111.146 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.3 t -96.44 174.9 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.12 111.136 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -38.09 81.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.889 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -52.19 -59.35 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 70.25 110.882 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.44 -35.43 80.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 70.44 110.864 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.86 92.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 73.34 111.119 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -51.61 -36.08 44.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.886 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -74.05 -33.78 63.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 71.12 110.915 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -95.13 35.59 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 70.14 110.834 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -34.92 63.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.35 111.154 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.06 -44.88 91.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 65.31 110.885 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 49.2 ttp -55.15 -53.23 58.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.92 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.1 mt -56.94 -39.87 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 64.34 111.129 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 85.9 m -54.04 -39.51 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.25 111.158 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 89.1 m -68.55 -40.61 80.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 64.32 111.083 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 397' ' ' ILE . 59.0 mt -51.83 -38.77 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 73.43 110.924 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -28.92 57.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 75.05 110.908 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -74.94 -35.92 62.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 71.01 110.892 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.038 HG22 HD11 ' B' ' 365' ' ' ILE . 36.3 pt -73.11 -1.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.44 111.132 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -78.52 -34.52 47.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.887 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.84 -20.17 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.816 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.572 ' HE1' HG13 ' B' ' 408' ' ' VAL . 0.6 OUTLIER -41.29 115.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 75.04 110.882 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -176.98 138.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.925 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.588 HG13 ' HE1' ' B' ' 406' ' ' PHE . 2.5 m -57.54 143.89 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 43.23 111.135 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . 0.434 ' H ' HD12 ' A' ' 412' ' ' ILE . 29.4 t -82.79 157.1 23.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.857 -179.833 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -51.78 -40.27 60.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.974 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.2 -41.06 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.11 111.082 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.676 HD11 ' HB ' ' B' ' 370' ' ' VAL . 80.5 mt -68.86 -45.4 80.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 74.31 111.099 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.8 mtm -64.99 -33.84 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 65.12 110.851 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.22 -53.53 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.882 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -56.81 -40.82 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 75.21 110.864 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . 0.412 ' HB2' HD11 ' B' ' 403' ' ' ILE . 59.3 p -55.64 -49.68 72.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 71.33 110.839 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 31.4 m -53.56 -46.52 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 73.02 111.137 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 24.3 ttp -52.55 -52.07 56.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.906 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' B' ' 381' ' ' ALA . 68.2 mt -66.58 -42.26 87.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.936 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -55.15 -53.82 51.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.95 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -61.76 -36.35 80.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.86 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -54.52 -53.88 48.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.894 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.535 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 23.2 m-85 -75.62 -36.21 60.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -58.75 -43.56 90.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 63.42 110.906 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -61.91 -35.26 77.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 44.24 110.832 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 48.7 mtm -76.32 -35.32 58.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.897 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.429 ' CE2' HD13 ' B' ' 397' ' ' ILE . 18.7 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 65.35 110.88 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.83 0.348 . . . . 65.44 110.863 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.0 tpt -62.21 -36.68 82.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 74.02 110.896 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.36 -35.29 65.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.86 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 20.4 m -64.85 -40.1 94.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 65.45 110.871 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . 0.408 HH11 HD22 ' B' ' 383' ' ' LEU . 8.6 ptp180 -75.2 -35.48 61.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 64.45 110.877 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.562 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.4 mp -71.49 -47.92 52.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 63.21 110.941 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -29.96 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 64.41 110.891 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -76.78 -43.07 38.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.855 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.6 mt -59.47 -34.77 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.43 111.129 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -71.83 -51.14 23.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.867 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.08 -41.26 99.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.04 111.12 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.59 -36.23 64.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.879 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 34.7 mt -74.37 -34.57 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 62.43 111.104 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -56.81 -51.39 69.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.3 110.887 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.12 -31.34 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.894 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.4 p -75.59 -10.92 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 71.21 110.888 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 48.6 mt -114.78 26.44 10.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 45.15 110.95 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 170.07 11.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.932 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.038 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.54 -42.38 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.33 111.127 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.446 ' N ' HG23 ' B' ' 365' ' ' ILE . 38.4 t0 -90.87 -32.22 16.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 64.14 110.894 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -109.41 36.23 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 65.1 110.877 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 406' ' ' PHE . 14.8 tp -55.67 107.65 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 73.24 110.884 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -125.03 71.29 1.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.878 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.676 ' HB ' HD11 ' A' ' 412' ' ' ILE . 6.6 m -51.29 -30.39 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 64.02 111.074 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -52.03 -40.07 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.851 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -33.78 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 64.21 110.916 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 11.1 t -53.33 -55.66 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 61.02 110.842 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.38 -35.9 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 64.33 111.132 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.84 -36.84 82.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.833 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.502 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.61 -52.46 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 73.15 111.091 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 69.5 mt -52.29 -35.73 51.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.3 110.926 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -63.43 -48.33 78.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 54.03 110.934 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.99 -50.02 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 62.51 110.856 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.626 HD13 ' O ' ' B' ' 380' ' ' LEU . 1.3 tm? -53.28 -39.47 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 72.31 110.903 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . 0.459 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -67.54 -33.97 76.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.117 179.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -35.91 58.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 63.33 110.858 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . 0.408 HD22 HH11 ' B' ' 351' ' ' ARG . 88.3 mt -68.63 120.09 14.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 71.02 110.888 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -80.96 70.21 7.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 65.43 110.961 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -79.39 143.15 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 70.11 111.157 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.4 t -95.29 174.59 6.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 45.24 111.109 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -38.31 84.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.883 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -51.89 -58.29 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.862 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.36 -35.85 82.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.898 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.03 88.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 62.03 111.109 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -51.86 -35.94 46.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.872 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -72.93 -34.93 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 54.25 110.899 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.14 35.58 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.859 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.416 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.5 OUTLIER -53.8 -35.8 61.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 54.13 111.185 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.68 -43.53 85.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.912 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 42.1 ttp -55.65 -54.6 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.878 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.714 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.9 mt -54.09 -41.65 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 71.44 111.104 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 94.0 m -54.14 -38.59 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 55.43 111.144 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.8 m -69.07 -41.93 76.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.54 111.151 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' B' ' 397' ' ' ILE . 34.8 mt -53.02 -37.62 61.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.92 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -28.76 56.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 60.31 110.912 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -75.53 -35.46 60.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 72.14 110.907 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 1.038 HG22 HD11 ' A' ' 365' ' ' ILE . 36.6 pt -73.15 -1.61 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 52.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -78.46 -34.44 47.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.35 110.884 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.86 -20.09 7.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 65.42 110.846 -179.901 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.588 ' HE1' HG13 ' A' ' 408' ' ' VAL . 0.8 OUTLIER -40.98 115.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 70.24 110.862 -179.897 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -176.65 139.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 62.2 110.924 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.572 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.3 m -58.09 145.76 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 71.22 111.148 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.9 t -85.89 156.27 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 64.22 110.898 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -51.8 -36.06 46.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 73.33 110.903 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.59 -40.6 82.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 73.1 111.115 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.65 HD11 ' HB ' ' A' ' 370' ' ' VAL . 75.9 mt -70.94 -48.39 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 71.34 111.119 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 23.7 mtm -62.36 -31.59 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.886 179.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -73.38 -53.22 11.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.863 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -57.99 -40.0 79.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.929 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 81.3 p -55.21 -50.48 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 61.13 110.825 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 30.8 m -53.02 -47.03 68.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 52.43 111.124 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 24.7 ttp -51.87 -51.64 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.816 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 381' ' ' ALA . 80.1 mt -66.75 -44.05 82.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 43.52 110.911 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -52.79 -56.7 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.92 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -58.1 -35.48 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.893 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -55.16 -53.15 59.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 71.45 110.858 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.604 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 89.0 m-85 -75.04 -38.57 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 54.34 110.908 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -57.6 -44.54 85.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 71.03 110.912 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -60.82 -35.96 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 62.42 110.898 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 48.5 mtm -76.88 -35.13 57.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.896 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . 0.459 ' CE2' HD13 ' A' ' 397' ' ' ILE . 17.4 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 71.21 110.885 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.834 0.35 . . . . 60.3 110.845 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -36.95 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 71.15 110.83 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.49 -38.27 65.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 75.24 110.842 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.3 m -60.78 -42.09 96.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.88 -179.747 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -74.88 -32.92 61.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.887 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 355' ' ' ILE . 2.5 mp -73.32 -32.31 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.88 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -69.5 -35.4 75.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.922 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -77.91 -37.38 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.881 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 352' ' ' LEU . 27.7 mt -57.48 -41.08 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 73.14 111.147 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -72.44 -49.89 30.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.865 179.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.15 85.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 63.02 111.064 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -54.72 -39.38 68.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 64.34 110.86 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.473 HG23 ' SG ' ' A' ' 373' ' ' CYS . 37.1 mt -69.42 -33.06 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 73.32 111.086 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -62.9 -52.31 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.35 110.876 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -68.35 -28.5 67.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 61.12 110.942 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 24.3 p -77.43 -29.17 52.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 73.51 110.871 -179.856 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 40.8 mt -94.57 26.78 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 63.44 110.881 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 170.21 9.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.13 110.894 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 0.928 HD11 HG22 ' B' ' 403' ' ' ILE . 5.3 tp -84.81 -40.33 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 75.13 111.142 179.811 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . 0.406 ' N ' HG23 ' A' ' 365' ' ' ILE . 3.6 p30 -89.82 -33.92 16.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 72.25 110.891 179.835 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -106.19 36.34 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 65.54 110.908 -179.892 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.486 HD13 ' CD2' ' B' ' 406' ' ' PHE . 15.6 tp -56.18 107.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 61.41 110.867 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -134.48 77.85 1.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.15 110.898 179.82 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.633 ' HB ' HD11 ' B' ' 412' ' ' ILE . 13.9 m -51.35 -29.32 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.32 111.132 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -51.87 -38.64 56.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.916 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.06 -35.2 59.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.859 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.473 ' SG ' HG23 ' A' ' 359' ' ' ILE . 5.5 t -53.74 -59.53 4.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 70.04 110.924 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 370' ' ' VAL . 3.1 mt -53.5 -44.3 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 55.44 111.127 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.75 -37.24 50.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.888 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.19 -54.2 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.24 111.078 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.535 HD22 HD12 ' B' ' 419' ' ' LEU . 88.4 mt -52.44 -37.15 56.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.895 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -44.58 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 44.25 110.84 179.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.67 -44.13 94.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 34.12 110.898 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.684 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.6 tm? -60.82 -35.26 76.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 52.31 110.941 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.458 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -69.84 -37.93 76.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 53.33 111.107 179.776 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.0 t -67.9 -34.91 77.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.84 -179.757 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.25 150.12 49.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 63.21 110.921 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -109.75 54.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.966 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 4.6 p -66.83 140.89 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 44.12 111.112 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . 0.415 HG23 ' HB2' ' A' ' 388' ' ' GLN . 14.3 t -102.98 171.3 7.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 72.12 111.142 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 4.1 ttt -55.03 -35.49 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.887 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . 0.415 ' HB2' HG23 ' A' ' 386' ' ' THR . 1.4 mt-30 -53.69 -56.77 14.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 70.25 110.908 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -74.06 -35.97 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 70.44 110.923 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.21 88.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.112 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . 0.556 ' O ' HG23 ' A' ' 394' ' ' THR . 3.1 mt-30 -51.51 -42.65 61.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.887 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -66.3 -34.51 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 71.12 110.932 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -95.11 35.72 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 70.14 110.87 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.629 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.7 OUTLIER -52.19 -35.14 48.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 63.35 111.158 -179.926 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -46.52 88.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 65.31 110.908 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -55.2 -37.75 67.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.869 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.816 ' HA ' HD12 ' A' ' 400' ' ' LEU . 4.2 mt -70.12 -42.27 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 64.34 111.111 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 87.4 m -55.92 -46.6 78.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 71.25 111.119 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 25.9 m -57.67 -43.7 85.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 64.32 111.136 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 397' ' ' ILE . 19.8 mt -52.13 -37.07 53.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.896 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -28.79 57.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.908 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -75.5 -35.1 60.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 71.01 110.903 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 0.916 HG22 HD11 ' B' ' 365' ' ' ILE . 36.1 pt -73.76 -1.36 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 75.44 111.12 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -34.74 41.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 64.01 110.911 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.06 -14.99 8.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.88 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.513 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -43.39 121.38 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.869 -179.927 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -177.52 142.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.876 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.0 p -70.55 135.8 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 43.23 111.157 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -72.8 173.7 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.846 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -73.15 -32.99 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 74.23 110.951 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.93 -42.56 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 73.11 111.13 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.663 HD11 ' HB ' ' B' ' 370' ' ' VAL . 22.6 mt -74.0 -49.95 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.11 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 31.2 mtm -55.25 -33.99 63.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 65.12 110.888 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.74 -52.85 13.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.88 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -59.44 -40.41 86.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.886 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.2 p -54.97 -47.39 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.826 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 58.3 m -57.22 -45.66 83.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 73.02 111.189 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 30.1 ttp -53.54 -44.7 69.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 71.21 110.907 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.685 HD13 HD12 ' B' ' 380' ' ' LEU . 50.3 mt -73.53 -43.37 60.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.904 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -55.07 -55.12 34.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.953 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -58.83 -35.85 73.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 73.14 110.879 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -55.22 -52.04 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.909 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -74.28 -36.74 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -56.14 -54.16 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 63.42 110.897 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -53.5 -34.52 58.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 44.24 110.873 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 33.8 mtm -78.27 -29.46 47.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.896 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 65.35 110.846 -179.891 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.919 0.39 . . . . 65.44 110.894 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . 0.414 ' O ' HD12 ' B' ' 352' ' ' LEU . 0.4 OUTLIER -55.49 -37.51 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 74.02 110.896 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.03 -36.37 66.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.903 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -64.23 -40.91 97.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 65.45 110.83 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . 0.401 ' HE ' HD21 ' B' ' 383' ' ' LEU . 6.5 ptm85 -75.9 -35.34 59.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 64.45 110.873 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.727 ' HA ' HD12 ' B' ' 355' ' ' ILE . 7.8 mt -70.4 -47.81 59.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 63.21 110.945 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -55.84 -31.1 62.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 64.41 110.902 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -76.84 -42.99 38.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.42 110.846 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.2 mt -55.89 -37.09 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.43 111.074 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -71.78 -51.07 24.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.872 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.48 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.117 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -55.08 -40.41 70.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.879 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.446 HG23 ' SG ' ' B' ' 373' ' ' CYS . 34.7 mt -68.45 -33.26 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 62.43 111.148 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -62.23 -52.16 64.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.913 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -68.89 -28.04 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 75.2 110.934 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 22.9 p -77.44 -29.34 52.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.836 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.2 mt -94.78 26.66 3.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 45.15 110.932 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 170.39 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.41 110.942 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 0.916 HD11 HG22 ' A' ' 403' ' ' ILE . 5.4 tp -84.83 -40.16 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 74.33 111.162 179.866 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.405 ' N ' HG23 ' B' ' 365' ' ' ILE . 3.6 p30 -90.14 -33.8 16.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 64.14 110.869 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -106.24 36.53 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 65.1 110.897 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 406' ' ' PHE . 15.4 tp -56.36 107.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.895 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -134.35 77.82 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.888 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.663 ' HB ' HD11 ' A' ' 412' ' ' ILE . 13.8 m -51.52 -29.21 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 64.02 111.117 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -51.91 -38.64 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.891 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.06 -35.42 59.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 64.21 110.881 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' B' ' 359' ' ' ILE . 5.5 t -53.65 -59.37 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 61.02 110.88 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.415 HD12 ' O ' ' B' ' 370' ' ' VAL . 3.1 mt -53.42 -44.45 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 64.33 111.137 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.67 -37.19 49.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -77.01 -54.0 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 73.15 111.13 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . 0.526 HD22 HD12 ' A' ' 419' ' ' LEU . 89.8 mt -52.15 -35.54 48.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 72.3 110.922 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -42.46 99.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 54.03 110.883 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.61 -50.18 70.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 62.51 110.906 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.685 HD12 HD13 ' A' ' 419' ' ' LEU . 3.2 tm? -56.75 -35.26 68.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 72.31 110.952 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . 0.469 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -69.21 -40.78 77.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 71.22 111.106 179.812 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.0 t -66.9 -35.24 79.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 63.33 110.808 -179.754 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . 0.401 HD21 ' HE ' ' B' ' 351' ' ' ARG . 90.0 mt -67.06 148.56 51.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 71.02 110.944 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -107.66 55.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 65.43 110.881 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 4.9 p -66.89 140.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 70.11 111.126 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.2 t -102.22 171.83 7.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 45.24 111.118 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.1 ttt -56.84 -35.57 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.862 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -53.53 -56.53 16.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.934 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -74.0 -35.94 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.905 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.22 88.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 62.03 111.111 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . 0.537 ' O ' HG23 ' B' ' 394' ' ' THR . 3.1 mt-30 -51.46 -41.86 61.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 71.43 110.862 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -66.75 -35.34 79.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 54.25 110.864 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -95.36 35.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 74.34 110.833 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.627 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.7 OUTLIER -52.24 -35.17 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 54.13 111.118 -179.917 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -45.64 93.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.869 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -55.63 -38.53 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.849 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' B' ' 400' ' ' LEU . 4.1 mt -70.03 -39.94 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 71.44 111.111 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 89.0 m -57.22 -45.09 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 55.43 111.123 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 31.9 m -60.6 -41.89 95.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 71.54 111.142 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' B' ' 397' ' ' ILE . 44.5 mt -51.52 -38.65 55.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 75.11 110.934 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.15 -28.89 57.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 60.31 110.91 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -74.54 -35.47 63.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.903 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.928 HG22 HD11 ' A' ' 365' ' ' ILE . 33.9 pt -74.08 -1.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 52.0 111.181 179.837 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -34.56 39.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 71.35 110.872 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -14.95 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 65.42 110.844 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.525 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -43.41 121.2 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 70.24 110.884 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -177.4 142.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 62.2 110.907 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.79 135.61 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 71.22 111.057 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -72.57 173.57 8.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 64.22 110.844 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -73.1 -33.02 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.911 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -53.0 -42.46 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.1 111.144 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.633 HD11 ' HB ' ' A' ' 370' ' ' VAL . 21.9 mt -74.04 -50.09 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 71.34 111.136 179.907 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 31.2 mtm -55.2 -33.72 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.911 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.93 -53.05 12.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.893 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -59.42 -39.84 84.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 74.32 110.893 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.7 p -54.95 -48.71 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 61.13 110.855 -179.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 57.9 m -56.11 -45.22 79.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 52.43 111.175 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 30.5 ttp -53.67 -44.71 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.822 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.535 HD12 HD22 ' A' ' 377' ' ' LEU . 59.6 mt -73.98 -41.58 61.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 43.52 110.934 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -58.11 -51.68 68.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.967 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -62.79 -39.56 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 72.53 110.92 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -53.29 -51.26 62.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 71.45 110.896 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.536 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 22.3 m-85 -75.38 -35.42 61.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 54.34 110.882 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -58.07 -51.42 69.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 71.03 110.876 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -53.19 -33.75 54.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 62.42 110.869 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.8 mtm -76.83 -34.68 57.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.876 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.901 -179.989 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.859 0.361 . . . . 60.3 110.853 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.8 tpt -53.62 -36.87 62.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 71.15 110.847 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.67 -36.32 65.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 75.24 110.859 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -36.71 81.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 64.41 110.825 -179.744 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . 0.471 ' HD2' HD13 ' A' ' 383' ' ' LEU . 11.2 ptp180 -77.4 -33.3 55.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.866 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 352' ' ' LEU . 20.4 mt -74.71 -40.74 61.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.52 110.882 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -63.2 -35.38 80.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.33 110.93 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -77.28 -35.3 55.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.873 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 24.1 mt -61.39 -44.25 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.14 111.128 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -72.22 -45.23 61.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.83 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.76 99.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 63.02 111.094 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -54.99 -42.33 72.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.907 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.512 HG22 HD12 ' A' ' 363' ' ' LEU . 41.2 mt -66.98 -34.31 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.121 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -58.46 -51.88 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 71.35 110.891 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -71.73 -33.58 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 61.12 110.89 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.4 p -74.05 -7.55 52.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.51 110.881 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.512 HD12 HG22 ' A' ' 359' ' ' ILE . 36.4 mt -115.08 26.34 10.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 63.44 110.926 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 170.58 10.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.934 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 0.978 HD11 HG22 ' B' ' 403' ' ' ILE . 5.7 tp -84.33 -37.81 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 75.13 111.117 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -92.99 -31.86 14.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.882 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -108.85 36.36 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 65.54 110.899 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' B' ' 406' ' ' PHE . 19.9 tp -53.34 107.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 61.41 110.947 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.41 81.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.868 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.586 ' HB ' HD11 ' B' ' 412' ' ' ILE . 12.5 m -60.69 -27.2 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.16 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -51.85 -39.58 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.888 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -75.89 -35.28 59.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.882 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.416 ' SG ' HG23 ' A' ' 359' ' ' ILE . 38.2 t -54.98 -54.52 41.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 70.04 110.861 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 370' ' ' VAL . 3.3 mt -55.16 -51.34 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 55.44 111.156 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.56 -34.08 35.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.901 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.78 -53.92 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 74.24 111.108 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . 0.422 HD11 HG23 ' B' ' 412' ' ' ILE . 11.9 mt -52.09 -42.87 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.919 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.64 -49.08 76.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 44.25 110.886 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -46.53 79.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 34.12 110.88 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.597 HD21 ' HE3' ' A' ' 396' ' ' MET . 1.1 tm? -52.35 -54.43 31.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 52.31 110.953 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.44 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -56.2 -34.6 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 53.33 111.069 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 8.6 t -70.16 -36.36 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.33 110.847 -179.781 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.471 HD13 ' HD2' ' A' ' 351' ' ' ARG . 59.5 mt -72.27 149.19 44.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 63.21 110.921 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -104.74 71.15 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.925 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . 0.535 HG13 ' HB3' ' A' ' 389' ' ' GLN . 22.0 t -67.05 127.61 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 44.12 111.135 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . 0.478 HG22 ' CD ' ' A' ' 389' ' ' GLN . 14.6 t -90.18 173.76 7.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.149 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -47.01 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.857 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.31 -41.1 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 70.25 110.874 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . 0.535 ' HB3' HG13 ' A' ' 385' ' ' VAL . 0.9 OUTLIER -73.45 -35.58 65.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 70.44 110.936 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -67.53 -47.98 68.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.136 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -36.16 44.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.883 -179.908 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -83.43 -34.82 25.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 71.12 110.856 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -95.17 35.63 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 70.14 110.808 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.688 ' HA ' HD12 ' A' ' 397' ' ' ILE . 1.4 p -63.27 -34.99 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 63.35 111.177 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.02 -44.84 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 65.31 110.896 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.597 ' HE3' HD21 ' A' ' 380' ' ' LEU . 45.2 ttp -55.36 -39.36 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.837 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.779 ' HA ' HD12 ' A' ' 400' ' ' LEU . 4.2 mt -70.04 -43.17 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 64.34 111.113 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 5.9 m -54.2 -34.21 60.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 71.25 111.18 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 94.7 m -74.54 -34.34 62.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 64.32 111.129 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 397' ' ' ILE . 30.2 mt -59.16 -35.85 74.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.928 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -76.11 -28.5 57.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.857 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -75.56 -35.6 60.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 71.01 110.876 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.011 HG22 HD11 ' B' ' 365' ' ' ILE . 35.2 pt -73.54 -1.72 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 75.44 111.11 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -33.73 43.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.862 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -20.03 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 75.44 110.907 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.475 ' CD2' HD13 ' B' ' 368' ' ' LEU . 0.3 OUTLIER -39.95 119.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 75.04 110.886 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -174.33 135.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.903 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 10.2 p -61.58 128.86 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 43.23 111.16 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 25.2 t -64.8 171.65 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.825 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -34.11 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.905 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . 0.415 HG13 HG13 ' A' ' 412' ' ' ILE . 5.1 p -53.31 -41.35 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.121 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.616 HD11 ' HB ' ' B' ' 370' ' ' VAL . 93.1 mt -73.62 -47.73 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.31 111.147 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 14.8 mtm -57.89 -33.95 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 65.12 110.898 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.67 -45.43 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.917 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -65.87 -35.45 80.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.869 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.5 p -58.06 -50.27 74.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.875 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 37.1 m -53.67 -44.94 70.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 73.02 111.163 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -50.55 -48.94 57.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 71.21 110.874 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' B' ' 381' ' ' ALA . 54.6 mt -74.38 -35.94 63.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 71.2 110.935 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -59.44 -57.02 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.948 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.17 -34.95 79.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.514 . . . . 73.14 110.889 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -57.44 -52.22 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.899 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.408 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 36.7 m-85 -65.76 -35.94 82.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 74.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -53.96 35.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 63.42 110.889 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -56.05 -33.11 64.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 44.24 110.854 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 7.1 mtm -75.91 -26.9 57.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.861 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.705 ' CE2' HD13 ' B' ' 397' ' ' ILE . 11.9 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 65.35 110.875 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.891 0.377 . . . . 65.44 110.876 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.5 tpt -53.07 -37.87 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 74.02 110.869 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 -35.09 67.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.911 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.92 -39.47 83.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 65.45 110.86 -179.761 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . 0.419 ' HD2' HD13 ' B' ' 383' ' ' LEU . 0.2 OUTLIER -74.8 -34.81 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 64.45 110.917 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.621 ' HA ' HD12 ' B' ' 355' ' ' ILE . 24.9 mt -71.48 -47.68 53.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.909 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -57.89 -30.17 65.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 64.41 110.896 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -76.79 -41.5 44.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 71.42 110.875 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.1 mt -59.2 -41.47 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 75.43 111.147 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -71.95 -50.73 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.843 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.46 88.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.04 111.119 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -55.06 -42.37 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.87 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.5 HG22 HD12 ' B' ' 363' ' ' LEU . 37.2 mt -66.43 -34.59 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 62.43 111.136 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -58.41 -51.79 68.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.3 110.909 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -71.69 -33.75 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 75.2 110.893 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 6.6 p -73.91 -7.72 53.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.886 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.5 HD12 HG22 ' B' ' 359' ' ' ILE . 37.3 mt -115.09 26.4 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 45.15 110.888 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 170.47 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.41 110.901 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.011 HD11 HG22 ' A' ' 403' ' ' ILE . 5.8 tp -84.41 -37.7 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.33 111.115 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -92.86 -31.7 14.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 64.14 110.865 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -109.3 36.57 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 65.1 110.906 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' A' ' 406' ' ' PHE . 19.8 tp -53.42 107.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 73.24 110.943 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.38 81.16 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.898 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.616 ' HB ' HD11 ' A' ' 412' ' ' ILE . 12.2 m -60.65 -27.29 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 64.02 111.112 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -51.83 -39.56 59.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.881 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -75.92 -35.55 59.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 64.21 110.898 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.425 ' SG ' HG23 ' B' ' 359' ' ' ILE . 34.7 t -54.42 -54.62 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 61.02 110.905 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . 0.421 HD12 ' O ' ' B' ' 370' ' ' VAL . 3.3 mt -55.26 -50.04 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 64.33 111.152 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.81 -35.36 43.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 75.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.468 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.45 -52.96 9.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 73.15 111.077 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . 0.433 HD11 HG23 ' A' ' 412' ' ' ILE . 11.9 mt -52.17 -41.37 62.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 72.3 110.975 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.61 -47.82 83.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 54.03 110.882 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -47.27 79.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 62.51 110.893 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' B' ' 380' ' ' LEU . 0.8 OUTLIER -52.4 -54.54 30.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.964 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . 0.426 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -55.89 -34.28 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 71.22 111.077 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 8.6 t -71.41 -36.32 71.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 63.33 110.829 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . 0.419 HD13 ' HD2' ' B' ' 351' ' ' ARG . 61.9 mt -72.94 148.65 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 71.02 110.905 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -104.13 71.1 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 65.43 110.921 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . 0.516 HG13 ' HB3' ' B' ' 389' ' ' GLN . 21.9 t -66.96 127.24 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 70.11 111.103 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . 0.443 HG22 ' CD ' ' B' ' 389' ' ' GLN . 14.6 t -89.88 173.69 8.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 45.24 111.117 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -46.5 81.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.865 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -56.2 -41.72 76.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.946 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . 0.516 ' HB3' HG13 ' B' ' 385' ' ' VAL . 0.9 OUTLIER -73.19 -35.98 66.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.904 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.09 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 62.03 111.122 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -35.9 48.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.868 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -82.87 -35.29 26.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 54.25 110.904 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -95.17 35.58 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.89 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.684 ' HA ' HD12 ' B' ' 397' ' ' ILE . 1.4 p -62.79 -35.24 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 54.13 111.104 -179.884 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.77 -44.58 81.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.888 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . 0.427 ' HB3' ' HE2' ' B' ' 396' ' ' MET . 43.6 ttp -55.34 -40.63 71.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.918 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.776 ' HA ' HD12 ' B' ' 400' ' ' LEU . 4.0 mt -68.58 -42.7 83.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 71.44 111.121 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 6.0 m -54.13 -35.6 62.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 55.43 111.126 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 97.0 m -73.68 -35.68 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 71.54 111.14 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' B' ' 397' ' ' ILE . 26.6 mt -57.8 -35.85 71.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.927 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -76.3 -28.62 57.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 60.31 110.911 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -75.44 -35.49 60.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.896 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 0.978 HG22 HD11 ' A' ' 365' ' ' ILE . 36.2 pt -73.36 -1.77 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 52.0 111.159 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -33.98 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 71.35 110.87 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.12 -19.95 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 65.42 110.902 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.493 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.05 118.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.845 -179.937 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -174.17 135.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 62.2 110.876 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.6 129.1 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 71.22 111.122 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 25.2 t -65.19 171.28 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 64.22 110.876 -179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.93 -34.24 66.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.917 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . 0.407 HG13 HG13 ' B' ' 412' ' ' ILE . 5.1 p -53.19 -41.35 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.1 111.105 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.586 HD11 ' HB ' ' A' ' 370' ' ' VAL . 93.1 mt -73.56 -48.28 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 71.34 111.134 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 14.1 mtm -57.19 -34.28 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 75.13 110.842 179.886 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.91 -46.76 42.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 74.42 110.889 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -64.61 -37.98 89.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.926 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.9 p -55.89 -48.63 75.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 61.13 110.875 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . 0.487 HG22 ' ND2' ' B' ' 421' ' ' ASN . 92.4 m -54.75 -47.09 74.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 52.43 111.121 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -48.93 -47.15 43.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.866 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 381' ' ' ALA . 53.5 mt -75.86 -34.82 60.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 43.52 110.904 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -56.36 -64.14 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.94 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . 0.487 ' ND2' HG22 ' B' ' 417' ' ' THR . 9.5 p30 -62.41 -33.27 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 72.53 110.895 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -55.05 -46.49 75.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 71.45 110.927 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.436 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 41.1 m-85 -75.35 -35.63 61.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 54.34 110.848 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -53.19 39.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 71.03 110.91 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -55.66 -33.39 64.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 62.42 110.893 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 7.7 mtm -75.88 -26.78 57.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.862 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . 0.719 ' CE2' HD13 ' A' ' 397' ' ' ILE . 12.3 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.875 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.873 0.368 . . . . 60.3 110.861 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 3.6 tpt -59.87 -40.23 87.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 71.15 110.831 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -73.83 -35.81 64.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 75.24 110.849 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 43.0 t -70.91 -38.72 72.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.897 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -74.75 -34.64 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.889 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.741 ' HA ' HD12 ' A' ' 355' ' ' ILE . 12.1 mt -71.55 -47.24 56.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 73.52 110.909 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -57.52 -27.93 63.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.914 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -75.89 -36.35 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.862 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 352' ' ' LEU . 29.2 mt -63.11 -37.83 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 73.14 111.112 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -71.96 -48.54 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.44 110.827 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.66 93.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 63.02 111.103 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -55.0 -47.01 75.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.911 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 40.5 mt -69.74 -33.72 57.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 73.32 111.128 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -52.0 63.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.35 110.866 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -73.75 -27.93 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 61.12 110.906 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.2 p -79.02 -2.85 42.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.881 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 39.9 mt -120.52 26.33 9.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 63.44 110.881 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -70.03 169.9 12.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.893 179.829 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 1.001 HD11 HG22 ' B' ' 403' ' ' ILE . 6.2 tp -83.93 -38.98 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 75.13 111.098 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.53 -29.77 15.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.25 110.866 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -111.03 37.11 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 65.54 110.901 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.449 HD13 ' CD2' ' B' ' 406' ' ' PHE . 20.0 tp -52.34 107.41 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 61.41 110.907 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -129.55 79.69 1.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 74.15 110.906 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.708 ' HB ' HD11 ' B' ' 412' ' ' ILE . 15.5 m -62.42 -26.51 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 73.32 111.165 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -51.58 -40.38 59.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 71.21 110.849 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -33.56 59.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.877 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 31.4 t -53.29 -61.17 2.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.905 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -53.51 -47.09 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 55.44 111.166 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.91 -36.47 49.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.93 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.558 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.96 -50.33 13.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.118 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 6.1 mt -51.96 -36.0 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 72.3 110.906 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.62 -46.62 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 44.25 110.857 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.61 -44.5 93.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 34.12 110.893 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.818 HD12 HD12 ' B' ' 419' ' ' LEU . 0.6 OUTLIER -52.47 -51.78 57.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 52.31 110.925 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.09 -33.62 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 53.33 111.07 179.848 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.85 -36.47 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 74.33 110.851 -179.77 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.403 HD12 ' CD1' ' A' ' 355' ' ' ILE . 53.7 mt -71.86 113.67 9.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 63.21 110.951 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -74.45 74.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.866 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.09 120.05 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 44.12 111.12 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . 0.529 HG23 ' H ' ' A' ' 389' ' ' GLN . 13.0 t -80.43 163.59 23.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 72.12 111.142 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -48.26 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.878 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -51.68 -52.66 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 70.25 110.864 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . 0.529 ' H ' HG23 ' A' ' 386' ' ' THR . 0.4 OUTLIER -64.22 -37.85 88.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.93 -179.932 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.47 -51.31 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.095 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . 0.502 ' O ' HG23 ' A' ' 394' ' ' THR . 5.0 mt-30 -52.2 -36.08 50.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.914 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.36 -34.82 48.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.877 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.402 ' CE1' HD12 ' A' ' 352' ' ' LEU . 76.5 m80 -95.23 35.62 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 70.14 110.866 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.8 ' HA ' HD12 ' A' ' 397' ' ' ILE . 4.3 p -61.69 -35.44 78.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 63.35 111.168 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.84 -46.72 87.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 65.31 110.912 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . 0.498 ' HE2' ' HB3' ' A' ' 396' ' ' MET . 19.2 ttp -55.27 -40.69 71.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.888 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 394' ' ' THR . 8.5 mt -64.12 -46.6 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 64.34 111.132 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 1.7 m -55.28 -40.68 71.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 71.25 111.151 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 85.2 m -62.94 -38.61 91.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 64.32 111.131 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 397' ' ' ILE . 17.8 mt -59.01 -35.73 73.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.905 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -76.16 -29.02 57.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 75.05 110.894 179.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -75.04 -35.21 61.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 71.01 110.943 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.041 HG22 HD11 ' B' ' 365' ' ' ILE . 36.5 pt -74.11 -1.59 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.44 111.121 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -32.77 36.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 64.01 110.886 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.03 -20.39 7.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.936 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.469 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -41.58 119.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.903 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.87 135.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.904 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.571 HG22 ' HB ' ' A' ' 412' ' ' ILE . 9.8 p -55.78 138.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 43.23 111.136 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.4 t -68.82 175.37 3.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.865 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -77.2 -35.84 55.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.926 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.99 -38.63 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.11 111.148 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.726 HD11 ' HB ' ' B' ' 370' ' ' VAL . 95.4 mt -65.42 -54.23 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.31 111.105 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 24.5 ptp -60.81 -32.85 72.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 65.12 110.897 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.44 -41.75 65.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.887 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -71.07 -39.1 72.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.884 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . 0.42 ' HB2' HD11 ' B' ' 403' ' ' ILE . 59.1 p -54.91 -48.17 73.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.89 -179.866 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 95.0 m -52.65 -46.72 67.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 73.02 111.135 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -52.26 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 71.21 110.866 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.796 HD12 HD12 ' B' ' 380' ' ' LEU . 4.3 mm? -67.37 -39.49 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 71.2 110.893 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -54.69 -51.86 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.889 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -69.8 -36.47 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.911 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -53.62 -47.39 70.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.885 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -70.89 -44.04 67.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 74.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -49.61 63.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 63.42 110.875 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.4 -34.05 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 44.24 110.847 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 15.9 mtm -85.87 -26.28 25.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.873 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.461 ' CZ ' HD13 ' B' ' 397' ' ' ILE . 1.7 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 65.35 110.844 -179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.886 0.374 . . . . 65.44 110.827 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 3.6 tpt -58.38 -40.31 81.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 74.02 110.86 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -73.21 -36.05 66.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.876 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 43.2 t -70.32 -39.52 74.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 65.45 110.867 -179.797 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.54 -35.1 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 64.45 110.882 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.812 ' HA ' HD12 ' B' ' 355' ' ' ILE . 14.2 mt -71.42 -47.92 52.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 63.21 110.962 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -58.22 -30.26 66.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 64.41 110.94 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -72.16 -36.61 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 71.42 110.85 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' B' ' 352' ' ' LEU . 19.0 mt -62.81 -40.35 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 75.43 111.113 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -67.83 -49.27 63.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.854 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.11 93.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 75.04 111.082 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -55.4 -46.08 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 74.45 110.892 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.47 HG22 HD12 ' B' ' 363' ' ' LEU . 40.7 mt -70.65 -33.79 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 62.43 111.124 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -55.59 -51.69 66.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.3 110.913 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -73.18 -26.59 61.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.926 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 3.2 p -82.1 -0.99 47.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 71.21 110.879 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.47 HD12 HG22 ' B' ' 359' ' ' ILE . 33.5 mt -121.34 26.35 8.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 45.15 110.911 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 170.74 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.891 179.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.041 HD11 HG22 ' A' ' 403' ' ' ILE . 6.1 tp -84.25 -39.3 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.139 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.402 ' N ' HG23 ' B' ' 365' ' ' ILE . 4.9 p-10 -92.85 -30.65 15.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 64.14 110.861 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -110.23 37.21 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 65.1 110.908 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 22.8 tp -52.36 107.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.914 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.41 80.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.899 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.726 ' HB ' HD11 ' A' ' 412' ' ' ILE . 15.4 m -63.05 -26.22 40.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 64.02 111.148 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -51.63 -40.44 59.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 73.44 110.906 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -33.46 60.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.853 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.34 -61.26 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.881 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -53.54 -46.19 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 64.33 111.121 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.93 -37.23 51.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.709 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.94 -49.19 16.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 73.15 111.08 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 6.1 mt -52.1 -35.45 47.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 72.3 110.891 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -66.51 -45.09 80.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 54.03 110.913 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -60.46 -45.53 93.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 62.51 110.879 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 419' ' ' LEU . 0.6 OUTLIER -52.4 -52.34 54.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 72.31 110.901 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.39 -33.66 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 71.22 111.104 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -36.33 62.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 63.33 110.834 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.2 mt -72.39 113.9 9.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 71.02 110.939 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -74.29 74.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 65.43 110.922 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . 0.412 HG22 HD11 ' B' ' 352' ' ' LEU . 21.4 t -66.9 119.96 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 70.11 111.104 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . 0.531 HG23 ' H ' ' B' ' 389' ' ' GLN . 12.8 t -79.27 163.32 25.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 45.24 111.139 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 14.3 tpt -53.11 -47.16 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.883 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -52.01 -52.1 52.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.911 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . 0.531 ' H ' HG23 ' B' ' 386' ' ' THR . 0.4 OUTLIER -65.04 -35.98 82.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.939 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.64 -51.37 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 62.03 111.078 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . 0.485 ' O ' HG23 ' B' ' 394' ' ' THR . 4.9 mt-30 -52.95 -36.12 59.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.943 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -35.44 51.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 54.25 110.864 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -95.25 35.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.873 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.791 ' HA ' HD12 ' B' ' 397' ' ' ILE . 4.2 p -61.6 -35.4 77.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 54.13 111.138 -179.898 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.68 -46.33 87.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 74.34 110.925 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . 0.508 ' HB3' ' HE2' ' B' ' 396' ' ' MET . 18.5 ttp -55.34 -41.61 72.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.869 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' B' ' 394' ' ' THR . 7.5 mt -63.64 -46.09 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.44 111.089 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 1.7 m -55.5 -40.7 72.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 55.43 111.138 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.0 m -63.14 -39.3 94.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 71.54 111.167 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' B' ' 397' ' ' ILE . 18.6 mt -58.14 -35.81 72.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.909 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -76.18 -29.02 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 60.31 110.88 179.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -75.05 -35.17 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.883 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 1.001 HG22 HD11 ' A' ' 365' ' ' ILE . 36.5 pt -74.11 -1.84 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 52.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -32.89 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 71.35 110.814 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.73 -20.35 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 65.42 110.874 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.488 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.5 OUTLIER -41.79 118.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 70.24 110.941 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.5 134.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 62.2 110.874 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' B' ' 412' ' ' ILE . 9.7 p -54.66 139.06 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 71.22 111.139 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.1 t -69.69 176.06 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 64.22 110.852 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -77.67 -35.89 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.924 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.18 -38.53 81.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 73.1 111.145 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.708 HD11 ' HB ' ' A' ' 370' ' ' VAL . 95.2 mt -65.32 -54.09 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 71.34 111.142 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.1 ptp -60.84 -32.91 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.849 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.15 -42.42 65.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.928 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -70.4 -39.01 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 74.32 110.867 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . 0.433 ' HB2' HD11 ' A' ' 403' ' ' ILE . 56.2 p -55.04 -48.21 73.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 61.13 110.86 -179.874 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 95.8 m -52.83 -46.78 67.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 52.43 111.116 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -52.25 49.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.22 110.842 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.818 HD12 HD12 ' A' ' 380' ' ' LEU . 4.2 mm? -67.12 -40.24 86.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 43.52 110.932 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -54.0 -52.55 60.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 75.05 110.913 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -69.06 -36.54 77.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 72.53 110.896 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -53.64 -46.99 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.45 110.88 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.22 -43.99 66.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 54.34 110.894 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -49.79 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 71.03 110.865 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.46 -34.13 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 62.42 110.916 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 17.2 mtm -85.8 -25.44 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.908 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . 0.482 ' CZ ' HD13 ' A' ' 397' ' ' ILE . 1.8 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.915 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.851 0.358 . . . . 60.3 110.846 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.8 ttt -53.0 -35.26 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 71.15 110.914 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.55 -48.1 35.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.24 110.873 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.02 -40.39 73.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.41 110.865 -179.753 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . 0.573 ' HE ' HD21 ' A' ' 383' ' ' LEU . 6.1 ptm85 -75.5 -34.28 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 74.54 110.883 -179.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.516 HD23 ' CG ' ' A' ' 393' ' ' HIS . 0.9 OUTLIER -61.01 -47.96 84.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.52 110.886 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -25.65 43.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.906 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -76.98 -34.91 57.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 75.43 110.88 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.464 HG23 ' HB1' ' A' ' 376' ' ' ALA . 73.3 mt -64.99 -42.22 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.14 111.13 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -71.86 -39.0 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 71.44 110.889 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.9 -45.89 66.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 63.02 111.086 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -54.98 -53.72 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.895 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . 0.554 HG22 HD12 ' A' ' 363' ' ' LEU . 41.8 mt -54.24 -34.25 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 73.32 111.134 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.32 -45.46 94.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.941 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -75.78 -30.55 59.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 61.12 110.882 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.6 p -80.86 -1.21 42.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.911 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . 0.554 HD12 HG22 ' A' ' 359' ' ' ILE . 35.2 mt -121.6 26.19 8.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 63.44 110.946 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -70.99 171.16 11.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.931 179.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 1.075 HD11 HG22 ' B' ' 403' ' ' ILE . 6.0 tp -84.34 -40.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 75.13 111.187 179.821 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . 0.42 ' N ' HG23 ' A' ' 365' ' ' ILE . 25.0 t0 -93.65 -30.65 14.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.865 179.832 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -109.8 36.26 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 65.54 110.913 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.518 HD13 ' CD2' ' B' ' 406' ' ' PHE . 23.1 tp -53.34 107.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 61.41 110.948 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -124.62 67.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.906 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.718 ' HB ' HD11 ' B' ' 412' ' ' ILE . 9.6 m -51.06 -30.97 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 73.32 111.139 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -52.27 -41.31 62.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.894 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -34.33 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.872 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . 0.437 ' SG ' HG23 ' A' ' 359' ' ' ILE . 34.9 t -53.33 -46.07 69.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 70.04 110.866 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.7 mt -65.64 -48.44 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 55.44 111.129 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.79 -34.74 41.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.902 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.464 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.96 -53.52 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.084 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 44.7 mt -52.22 -42.76 63.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 72.3 110.904 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -34.91 76.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 44.25 110.837 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.16 -45.31 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 34.12 110.864 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.636 HD11 ' CZ ' ' B' ' 423' ' ' PHE . 3.4 tm? -60.37 -34.88 74.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 52.31 110.903 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.765 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -74.72 -34.41 62.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 53.33 111.086 179.81 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 5.8 m -77.34 -33.97 55.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.882 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.573 HD21 ' HE ' ' A' ' 351' ' ' ARG . 23.2 mt -55.1 -35.07 64.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 63.21 110.878 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 60.15 49.21 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.02 110.864 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.64 140.62 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 44.12 111.161 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -85.94 174.35 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 72.12 111.149 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 10.6 tpt -62.16 -36.9 83.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 74.23 110.872 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -54.29 -51.56 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 70.25 110.89 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -74.27 -36.04 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 70.44 110.937 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.06 96.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.34 111.063 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -35.93 43.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 75.25 110.917 -179.901 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -73.03 -35.05 66.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.937 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.516 ' CG ' HD23 ' A' ' 352' ' ' LEU . 67.8 m80 -101.26 35.73 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 70.14 110.847 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.504 HG22 ' CE2' ' B' ' 427' ' ' PHE . 0.8 OUTLIER -54.77 -34.85 63.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 63.35 111.148 -179.922 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.04 -38.22 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 65.31 110.894 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 36.2 ttp -55.3 -45.88 76.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 74.31 110.855 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.769 ' HA ' HD12 ' A' ' 400' ' ' LEU . 2.8 mp -62.03 -36.49 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 64.34 111.082 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 25.8 m -54.22 -36.73 63.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 71.25 111.09 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -73.61 -35.19 65.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 64.32 111.149 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 397' ' ' ILE . 30.7 mt -59.09 -36.28 74.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.929 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -29.26 57.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 75.05 110.847 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -75.4 -35.51 61.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 71.01 110.941 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.039 HG22 HD11 ' B' ' 365' ' ' ILE . 39.9 pt -73.38 -1.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.44 111.151 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -33.89 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 64.01 110.841 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . 0.52 HH21 HD23 ' B' ' 368' ' ' LEU . 0.0 OUTLIER -120.43 -20.08 7.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.91 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.563 ' HE1' HG13 ' B' ' 408' ' ' VAL . 0.7 OUTLIER -42.89 113.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.891 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -175.67 133.65 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.897 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.575 HG13 ' HE1' ' B' ' 406' ' ' PHE . 2.3 m -52.18 144.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 43.23 111.086 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -85.54 156.46 20.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.834 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -51.99 -35.75 47.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.925 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . 0.421 HG13 HG13 ' A' ' 412' ' ' ILE . 6.4 p -59.04 -39.8 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 73.11 111.117 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.707 HD11 ' HB ' ' B' ' 370' ' ' VAL . 78.6 mt -72.24 -49.55 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 74.31 111.112 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 18.8 mtm -61.55 -32.31 72.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 65.12 110.932 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.35 -53.19 13.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.858 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -59.54 -38.61 81.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.835 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . 0.424 ' HB2' HD11 ' B' ' 403' ' ' ILE . 58.8 p -55.04 -49.55 71.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 71.33 110.895 -179.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 87.4 m -55.52 -47.7 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 73.02 111.108 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 6.6 ttp -50.95 -44.97 60.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 71.21 110.907 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' B' ' 381' ' ' ALA . 90.2 mt -74.34 -40.45 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 71.2 110.912 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -57.94 -60.76 3.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.905 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.28 -35.1 71.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 73.14 110.885 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -56.94 -49.64 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.868 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.631 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 55.5 m-85 -70.14 -37.15 75.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -60.77 -47.13 87.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 63.42 110.875 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -51.86 -34.95 43.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 44.24 110.866 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 67.0 mtm -85.86 -34.88 20.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 74.21 110.911 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.46 ' CE2' HD13 ' B' ' 397' ' ' ILE . 7.5 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.35 110.894 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.896 0.379 . . . . 65.44 110.839 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.9 ttt -53.18 -36.46 60.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.02 110.87 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.88 -45.84 56.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 75.42 110.872 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -40.41 80.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 65.45 110.862 -179.77 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . 0.669 ' CZ ' HD21 ' B' ' 383' ' ' LEU . 12.7 ptm180 -75.16 -34.24 61.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 64.45 110.906 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.507 HD23 ' CG ' ' B' ' 393' ' ' HIS . 0.9 OUTLIER -60.54 -47.74 84.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 63.21 110.919 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -25.25 42.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 64.41 110.854 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -76.79 -35.74 57.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 71.42 110.906 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.532 HG23 ' HB1' ' B' ' 376' ' ' ALA . 70.8 mt -64.8 -42.66 95.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 75.43 111.174 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -70.76 -39.43 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.855 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.93 67.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.04 111.095 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.28 -53.16 59.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.855 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . 0.575 HG22 HD12 ' B' ' 363' ' ' LEU . 38.1 mt -54.18 -35.34 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 62.43 111.137 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -62.99 -43.38 98.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 74.3 110.897 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -76.05 -29.24 57.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.891 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 6.7 p -84.33 -0.51 52.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.894 -179.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . 0.575 HD12 HG22 ' B' ' 359' ' ' ILE . 33.4 mt -120.85 26.58 9.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 45.15 110.881 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 171.94 10.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.909 179.811 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.039 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.71 -40.71 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.155 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.426 ' N ' HG23 ' B' ' 365' ' ' ILE . 25.2 t0 -93.16 -31.52 14.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 64.14 110.872 179.867 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -108.7 36.22 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 65.1 110.916 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.52 HD23 HH21 ' A' ' 405' ' ' ARG . 22.7 tp -53.62 107.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.879 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -124.99 67.86 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.867 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.707 ' HB ' HD11 ' A' ' 412' ' ' ILE . 9.9 m -51.23 -30.44 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 64.02 111.111 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -52.19 -41.38 62.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 73.44 110.903 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -34.14 60.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 64.21 110.86 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . 0.437 ' SG ' HG23 ' B' ' 359' ' ' ILE . 33.0 t -53.16 -47.1 69.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 61.02 110.861 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.7 mt -64.99 -47.59 87.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 64.33 111.128 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.9 -35.49 45.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.532 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.62 -53.84 7.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 73.15 111.09 179.922 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 44.6 mt -52.21 -42.66 63.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 72.3 110.891 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -35.02 76.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 54.03 110.852 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.55 -45.33 72.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 62.51 110.852 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.631 HD11 ' CZ ' ' A' ' 423' ' ' PHE . 3.4 tm? -59.29 -35.67 74.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 72.31 110.898 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . 0.703 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -74.07 -34.79 64.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 71.22 111.157 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 5.8 m -76.48 -34.06 58.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.33 110.849 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . 0.669 HD21 ' CZ ' ' B' ' 351' ' ' ARG . 27.4 mt -55.31 -34.85 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 71.02 110.959 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 59.8 49.38 8.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 65.43 110.946 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.78 141.22 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 70.11 111.16 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -86.83 174.34 8.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 45.24 111.162 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 11.3 tpt -61.86 -38.24 87.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 75.31 110.86 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -52.17 -52.01 54.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 74.44 110.93 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -36.04 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.879 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.69 92.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 62.03 111.123 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -35.9 45.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.905 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -72.61 -35.58 67.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 54.25 110.909 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . 0.507 ' CG ' HD23 ' B' ' 352' ' ' LEU . 68.7 m80 -101.12 35.66 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.898 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.74 -35.21 63.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 54.13 111.117 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.38 -38.15 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.871 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 35.5 ttp -55.4 -46.6 76.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.889 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.766 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.7 mp -61.11 -35.48 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.44 111.146 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.0 m -54.96 -37.54 66.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 55.43 111.142 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.4 m -72.59 -35.61 67.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 71.54 111.188 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.766 HD12 ' HA ' ' B' ' 397' ' ' ILE . 29.6 mt -58.5 -36.61 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 75.11 110.887 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -28.91 57.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 60.31 110.946 179.812 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -75.59 -35.36 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 72.14 110.907 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 1.075 HG22 HD11 ' A' ' 365' ' ' ILE . 39.9 pt -73.46 -1.7 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 52.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.15 -34.01 43.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.35 110.869 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . 0.47 HH21 HD23 ' A' ' 368' ' ' LEU . 0.0 OUTLIER -120.22 -20.25 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 65.42 110.897 -179.942 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.575 ' HE1' HG13 ' A' ' 408' ' ' VAL . 0.8 OUTLIER -42.68 113.45 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 70.24 110.912 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -175.65 133.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 62.2 110.919 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.563 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.3 m -51.95 145.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.22 111.161 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . 0.426 ' H ' HD12 ' B' ' 412' ' ' ILE . 3.1 m -86.28 156.36 20.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 64.22 110.863 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -51.76 -35.79 44.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.91 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . 0.404 HG13 HG13 ' B' ' 412' ' ' ILE . 6.3 p -59.12 -40.18 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.1 111.102 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.718 HD11 ' HB ' ' A' ' 370' ' ' VAL . 77.7 mt -71.6 -50.41 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 71.34 111.147 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.7 mtm -60.89 -32.84 72.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 75.13 110.879 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.63 -53.44 13.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.847 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -59.41 -39.51 83.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.872 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . 0.451 ' HB2' HD11 ' A' ' 403' ' ' ILE . 60.0 p -55.06 -48.33 73.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 61.13 110.855 -179.901 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 90.4 m -55.38 -51.65 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 52.43 111.168 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 6.6 ttp -48.88 -43.71 39.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.916 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.765 HD21 ' HB2' ' A' ' 381' ' ' ALA . 86.4 mt -75.15 -34.91 61.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 43.52 110.913 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -60.48 -63.06 1.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.905 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -59.57 -31.4 69.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 72.53 110.902 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -56.26 -47.98 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 71.45 110.889 179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . 0.636 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 57.0 m-85 -75.75 -35.89 60.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 54.34 110.896 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -60.57 -47.7 85.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.9 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -51.49 -35.16 38.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 62.42 110.87 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 67.6 mtm -85.81 -33.73 21.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.891 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . 0.504 ' CE2' HG22 ' A' ' 394' ' ' THR . 3.1 m-30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.84 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.867 0.365 . . . . 60.3 110.896 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -36.16 60.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 71.15 110.821 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 75.24 110.865 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -37.47 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 64.41 110.909 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -74.99 -33.89 61.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 74.54 110.84 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 352' ' ' LEU . . . . . 0.564 ' HA ' HD12 ' A' ' 355' ' ' ILE . 2.3 mp -71.19 -47.78 55.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.903 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -56.07 -30.37 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.894 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.44 -39.4 46.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.859 -179.895 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 355' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 352' ' ' LEU . 22.8 mt -63.0 -37.07 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.14 111.114 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -72.07 -45.85 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 71.44 110.914 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.15 86.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 63.02 111.123 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.0 -41.68 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.869 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.9 -35.45 59.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.121 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -54.77 -48.74 72.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.902 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.62 -28.98 59.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 61.12 110.922 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.2 p -78.19 -3.08 40.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.51 110.878 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 55.6 mt -121.74 26.21 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 63.44 110.932 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 171.36 8.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.907 179.859 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 365' ' ' ILE . . . . . 1.035 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.74 -41.94 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.163 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 366' ' ' ASP . . . . . 0.428 ' N ' HG23 ' A' ' 365' ' ' ILE . 31.3 t70 -91.43 -32.72 15.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.849 179.868 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -109.67 36.26 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 65.54 110.883 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 368' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' B' ' 406' ' ' PHE . 16.4 tp -53.56 107.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 61.41 110.918 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -123.98 70.05 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.877 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 370' ' ' VAL . . . . . 0.692 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.3 m -54.34 -29.52 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.32 111.132 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -52.08 -40.29 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 71.21 110.879 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.81 -34.48 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.865 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 38.0 t -53.36 -45.29 69.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 70.04 110.886 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -66.84 -37.67 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 55.44 111.147 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.39 -36.14 81.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.895 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 376' ' ' ALA . . . . . 0.455 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -77.04 -53.8 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.147 179.897 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 15.9 mt -52.07 -43.72 63.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.905 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -62.97 -33.64 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 44.25 110.883 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.43 -49.07 65.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 34.12 110.89 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 380' ' ' LEU . . . . . 0.663 HD12 HD22 ' B' ' 419' ' ' LEU . 3.3 tm? -51.65 -44.31 62.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 52.31 110.925 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.515 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -60.91 -26.44 67.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 53.33 111.089 179.787 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.59 27.23 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.849 -179.729 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.409 HD11 ' CD1' ' A' ' 355' ' ' ILE . 17.4 mt -114.87 -32.42 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 63.21 110.901 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 49.56 48.54 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 74.02 110.925 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.16 148.17 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 44.12 111.133 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.0 t -80.23 175.21 10.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 72.12 111.112 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 387' ' ' MET . . . . . 0.492 ' HE2' ' HA ' ' B' ' 427' ' ' PHE . 10.6 tpt -69.6 -40.04 76.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.819 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -51.84 -49.2 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 70.25 110.89 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.04 -35.7 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 70.44 110.89 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.88 98.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 73.34 111.081 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -36.03 42.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 75.25 110.924 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -72.78 -34.31 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 71.12 110.944 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.468 ' CG ' HD23 ' A' ' 352' ' ' LEU . 75.7 m80 -95.4 35.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 70.14 110.899 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 394' ' ' THR . . . . . 0.559 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.2 OUTLIER -54.31 -34.66 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 63.35 111.148 -179.884 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.7 -43.65 97.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 65.31 110.877 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 34.4 ttp -55.25 -43.69 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.895 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 397' ' ' ILE . . . . . 0.735 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.4 mt -64.7 -45.07 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 64.34 111.094 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 398' ' ' THR . . . . . 0.448 HG22 ' HE2' ' A' ' 402' ' ' LYS . 0.6 OUTLIER -54.16 -34.72 61.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 71.25 111.158 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 86.4 m -71.09 -34.94 71.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 64.32 111.111 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 397' ' ' ILE . 31.0 mt -61.61 -36.31 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.892 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -76.33 -28.84 57.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 75.05 110.917 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 402' ' ' LYS . . . . . 0.448 ' HE2' HG22 ' A' ' 398' ' ' THR . 16.5 mttm -75.08 -35.77 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 71.01 110.884 179.875 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 403' ' ' ILE . . . . . 1.049 HG22 HD11 ' B' ' 365' ' ' ILE . 36.4 pt -73.16 -2.02 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 75.44 111.126 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -34.13 49.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 64.01 110.884 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 -19.98 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 75.44 110.859 -179.907 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 406' ' ' PHE . . . . . 0.572 ' HE1' HG13 ' B' ' 408' ' ' VAL . 1.0 OUTLIER -42.2 113.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.842 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -175.68 134.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.926 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 408' ' ' VAL . . . . . 0.488 HG13 ' HE2' ' B' ' 406' ' ' PHE . 2.6 m -54.07 143.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 43.23 111.111 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 39.2 t -82.62 154.08 25.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.85 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -51.45 -34.49 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 74.23 110.945 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.1 p -59.0 -39.73 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.116 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.696 HD11 ' HB ' ' B' ' 370' ' ' VAL . 87.8 mt -72.9 -44.16 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.148 179.887 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 9.0 mtt -62.98 -33.34 75.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.925 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.19 -53.32 11.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.896 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -56.79 -40.12 75.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.891 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 73.0 p -55.06 -51.86 65.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 71.33 110.829 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 417' ' ' THR . . . . . 0.563 HG22 ' OD1' ' A' ' 421' ' ' ASN . 58.7 m -52.92 -50.04 64.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 73.02 111.148 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -44.02 47.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 71.21 110.841 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.595 HD22 HD12 ' B' ' 380' ' ' LEU . 80.0 mt -74.41 -38.16 63.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 71.2 110.957 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.28 -60.12 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.942 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.563 ' OD1' HG22 ' A' ' 417' ' ' THR . 10.5 m120 -56.68 -35.73 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.14 110.911 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -53.07 -53.72 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.931 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 423' ' ' PHE . . . . . 0.565 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 20.1 m-85 -71.56 -35.87 70.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -58.06 -53.97 52.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 63.42 110.883 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.36 -32.27 48.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 44.24 110.868 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 9.8 mtm -80.63 -27.45 37.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.871 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.4 ' HA ' ' HE2' ' B' ' 387' ' ' MET . 1.6 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.912 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.888 0.375 . . . . 65.44 110.898 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -36.79 61.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 74.02 110.871 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.63 -37.16 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.833 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -38.31 83.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 65.45 110.86 -179.782 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -74.33 -34.18 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 64.45 110.856 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.616 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.7 mp -71.08 -47.79 56.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 63.21 110.9 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.36 -30.08 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.928 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.18 -39.35 55.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.895 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 355' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.2 mt -63.61 -38.44 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 75.43 111.155 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -70.38 -46.38 64.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.889 179.836 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.87 84.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.04 111.104 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.98 -43.08 77.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.855 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 40.4 mt -69.8 -33.96 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 62.43 111.16 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -52.42 -51.96 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 74.3 110.893 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -75.16 -27.05 59.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.918 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -77.49 -4.07 43.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.894 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 57.5 mt -121.56 25.82 9.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 45.15 110.906 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 170.39 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.88 179.865 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 365' ' ' ILE . . . . . 1.049 HD11 HG22 ' A' ' 403' ' ' ILE . 6.0 tp -84.73 -40.52 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 74.33 111.133 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . 0.422 ' N ' HG23 ' B' ' 365' ' ' ILE . 31.6 t70 -91.89 -32.55 15.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 64.14 110.871 179.842 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -110.63 36.26 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 65.1 110.918 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . 0.56 HD13 ' CE2' ' A' ' 406' ' ' PHE . 16.3 tp -53.33 107.67 0.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.934 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -122.92 69.18 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.856 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 370' ' ' VAL . . . . . 0.696 ' HB ' HD11 ' A' ' 412' ' ' ILE . 7.2 m -53.68 -30.06 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 64.02 111.146 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -52.14 -40.29 61.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 73.44 110.879 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.7 -34.5 60.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 64.21 110.87 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.32 -46.46 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 61.02 110.924 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -66.06 -36.61 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 64.33 111.162 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.21 -38.08 89.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 376' ' ' ALA . . . . . 0.517 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.56 -52.59 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.15 111.124 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 16.4 mt -52.24 -42.04 63.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.896 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -62.96 -35.53 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 54.03 110.862 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.33 -50.04 71.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 62.51 110.88 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.595 HD12 HD22 ' A' ' 419' ' ' LEU . 2.3 tm? -52.91 -45.49 67.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 72.31 110.932 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.97 -33.79 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 71.22 111.084 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.73 -28.75 61.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 63.33 110.844 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.15 96.87 10.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.918 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.71 69.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 65.43 110.902 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 385' ' ' VAL . . . . . 0.42 HG22 ' O ' ' B' ' 386' ' ' THR . 2.7 p -66.82 141.14 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 70.11 111.125 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 386' ' ' THR . . . . . 0.42 ' O ' HG22 ' B' ' 385' ' ' VAL . 14.2 t -77.05 174.88 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 45.24 111.12 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 387' ' ' MET . . . . . 0.4 ' HE2' ' HA ' ' A' ' 427' ' ' PHE . 10.5 tpt -68.33 -40.23 81.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.866 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -51.92 -48.9 64.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.857 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -36.26 63.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.12 110.937 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.88 97.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 62.03 111.108 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -36.19 46.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 71.43 110.918 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -71.48 -34.78 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 54.25 110.89 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -95.27 35.62 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.855 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.429 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.2 OUTLIER -53.05 -35.27 59.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 54.13 111.145 -179.932 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.44 -42.14 91.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 74.34 110.822 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 27.7 ttp -55.26 -49.21 72.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.924 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 397' ' ' ILE . . . . . 0.795 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.7 mp -58.53 -45.91 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 71.44 111.171 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 398' ' ' THR . . . . . 0.472 HG22 ' HE2' ' B' ' 402' ' ' LYS . 0.5 OUTLIER -54.09 -36.13 62.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 55.43 111.173 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.1 m -70.54 -37.04 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.54 111.165 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' B' ' 397' ' ' ILE . 19.0 mt -61.04 -35.23 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 75.11 110.943 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -76.89 -29.11 55.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 60.31 110.907 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 402' ' ' LYS . . . . . 0.472 ' HE2' HG22 ' B' ' 398' ' ' THR . 16.5 mttm -75.45 -35.08 60.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 72.14 110.905 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 403' ' ' ILE . . . . . 1.035 HG22 HD11 ' A' ' 365' ' ' ILE . 39.3 pt -73.3 -1.74 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 52.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -33.81 42.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 71.35 110.88 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.13 -20.01 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 65.42 110.901 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 406' ' ' PHE . . . . . 0.49 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 1.1 t80 -41.98 112.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 70.24 110.903 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -175.05 134.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 62.2 110.918 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 408' ' ' VAL . . . . . 0.572 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.8 m -55.01 141.47 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 71.22 111.132 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.5 t -81.05 155.59 26.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.853 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -52.55 -34.14 48.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 73.33 110.933 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -58.52 -39.98 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 73.1 111.138 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 412' ' ' ILE . . . . . 0.692 HD11 ' HB ' ' A' ' 370' ' ' VAL . 85.7 mt -73.09 -46.55 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 71.34 111.143 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 9.0 mtt -62.1 -31.37 71.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.897 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.79 -51.51 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.912 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -59.87 -38.34 81.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.32 110.909 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.2 p -55.51 -51.93 65.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 61.13 110.864 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.6 m -53.67 -43.01 68.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.503 . . . . 52.43 111.141 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -50.44 63.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 74.22 110.871 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 419' ' ' LEU . . . . . 0.663 HD22 HD12 ' A' ' 380' ' ' LEU . 81.5 mt -71.9 -39.6 69.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 43.52 110.9 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -51.78 -62.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.958 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -57.32 -33.8 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 72.53 110.851 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -52.85 -52.01 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 71.45 110.89 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -72.62 -36.75 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 54.34 110.873 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -57.41 -54.25 48.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 71.03 110.869 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.06 -32.67 48.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 62.42 110.862 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 9.4 mtm -80.96 -27.69 35.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.921 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 427' ' ' PHE . . . . . 0.492 ' HA ' ' HE2' ' A' ' 387' ' ' MET . 1.6 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.892 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.896 0.379 . . . . 74.34 110.854 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -163.9 134.9 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 73.04 110.912 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . 179.68 -169.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 50.24 111.125 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -172.48 49.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 74.12 111.12 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 52.5 p -78.08 -175.91 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 73.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -143.58 -61.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 71.32 110.881 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.8 122.16 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 73.11 111.144 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.85 -47.89 60.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 60.3 110.871 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.57 -37.69 63.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 71.15 110.884 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.73 -36.3 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.845 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.8 t -68.96 -38.91 79.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 64.41 110.839 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.623 ' CZ ' HD21 ' A' ' 383' ' ' LEU . 11.9 ptm180 -74.83 -34.25 62.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 74.54 110.893 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.696 ' HA ' HD12 ' A' ' 355' ' ' ILE . 7.2 mt -69.62 -47.57 62.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 73.52 110.885 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.29 -27.44 62.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 72.33 110.904 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -76.87 -39.56 50.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 75.43 110.885 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 352' ' ' LEU . 30.2 mt -59.63 -38.7 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 73.14 111.142 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -72.1 -48.15 46.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.853 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.42 98.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 63.02 111.08 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -55.09 -46.52 75.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 64.34 110.91 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.446 HG23 ' SG ' ' A' ' 373' ' ' CYS . 43.7 mt -64.75 -33.4 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 73.32 111.107 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -63.01 -52.06 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.888 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -69.88 -30.22 67.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 61.12 110.942 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 13.6 p -75.67 -27.94 58.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 73.51 110.818 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.443 HD12 HG22 ' A' ' 359' ' ' ILE . 36.4 mt -94.38 26.84 3.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 63.44 110.924 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.47 170.4 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.876 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 0.941 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.29 -38.93 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 75.13 111.154 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -91.71 -32.67 15.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 72.25 110.869 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -106.57 36.4 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 65.54 110.881 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' B' ' 406' ' ' PHE . 16.2 tp -56.65 107.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 61.41 110.903 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -134.13 76.64 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.882 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.579 ' HB ' HD11 ' B' ' 412' ' ' ILE . 11.6 m -51.34 -29.21 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.13 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -51.71 -37.93 52.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.875 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -35.89 59.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 74.44 110.837 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 359' ' ' ILE . 7.9 t -54.76 -58.87 5.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 70.04 110.894 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.29 -40.17 38.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 55.44 111.148 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.61 -36.25 73.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.906 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.472 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -77.14 -53.88 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 74.24 111.099 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 17.4 mt -52.17 -35.45 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -63.22 -39.69 95.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 44.25 110.886 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -67.5 -50.0 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 34.12 110.903 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.625 HD12 HD13 ' B' ' 419' ' ' LEU . 3.3 tm? -52.93 -36.08 59.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 52.31 110.947 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.546 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -72.01 -40.27 68.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 53.33 111.13 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -35.76 74.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.831 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.623 HD21 ' CZ ' ' A' ' 351' ' ' ARG . 56.2 mt -61.0 135.76 57.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 63.21 110.93 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -92.64 56.24 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.957 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.89 136.99 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 44.12 111.109 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -100.45 172.84 6.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 72.12 111.12 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 12.2 tpt -55.23 -39.01 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.894 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -54.27 -52.66 60.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 70.25 110.948 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -72.99 -37.22 67.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 70.44 110.947 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.28 70.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.34 111.1 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . 0.47 ' O ' HG23 ' A' ' 394' ' ' THR . 1.6 mt-30 -51.8 -36.03 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.95 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -75.85 -35.8 59.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 71.12 110.881 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -97.96 35.55 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 70.14 110.832 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.607 HG22 ' CZ ' ' B' ' 427' ' ' PHE . 7.5 p -63.81 -34.53 78.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 63.35 111.159 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.24 -50.12 70.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 65.31 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.502 ' CE ' HD22 ' A' ' 352' ' ' LEU . 55.1 ttp -55.34 -35.19 64.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.91 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.813 ' HA ' HD12 ' A' ' 400' ' ' LEU . 49.9 mt -66.81 -35.38 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 64.34 111.126 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 2.7 m -59.88 -41.37 91.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 71.25 111.109 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.7 m -63.0 -40.09 96.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 64.32 111.162 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 397' ' ' ILE . 15.6 mt -52.96 -35.02 58.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.898 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -76.4 -28.47 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 75.05 110.884 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -75.79 -35.47 60.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 71.01 110.916 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 0.958 HG22 HD11 ' B' ' 365' ' ' ILE . 35.7 pt -73.13 -1.65 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.44 111.147 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -34.54 43.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.848 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -18.26 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.863 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.5 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -41.12 119.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 75.04 110.867 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.17 135.75 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.863 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.2 134.4 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 43.23 111.17 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 31.1 t -70.65 173.48 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.872 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.76 -34.16 64.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.966 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . 0.438 HG13 HG13 ' A' ' 412' ' ' ILE . 5.4 p -53.17 -41.1 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.11 111.149 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.583 HD11 ' HB ' ' B' ' 370' ' ' VAL . 93.8 mt -73.84 -48.3 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.31 111.133 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 19.5 mtm -56.7 -33.48 66.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 65.12 110.846 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -72.89 -52.97 12.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.899 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -58.64 -40.0 82.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.923 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 78.6 p -55.07 -49.9 70.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.829 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 85.8 m -55.09 -40.66 70.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 73.02 111.187 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 11.5 ttp -56.34 -49.35 74.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 71.21 110.896 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' B' ' 381' ' ' ALA . 53.6 mt -71.98 -37.39 69.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 71.2 110.943 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.538 ' CE1' HD13 ' A' ' 444' ' ' LEU . 29.0 t80 -62.74 -41.73 99.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.933 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.14 -45.27 57.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.14 110.844 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -53.66 -50.15 66.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.92 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -60.5 -40.43 91.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -58.13 -51.56 69.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 63.42 110.85 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.07 -35.38 47.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 44.24 110.916 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 34.9 mtm -73.76 -34.68 64.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.905 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.595 ' CZ ' HG22 ' B' ' 394' ' ' THR . 16.7 m-85 -69.2 -36.37 77.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 65.35 110.906 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.7 HD13 ' HB2' ' A' ' 431' ' ' GLU . 4.4 pp -85.54 -34.87 21.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 74.31 110.937 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.555 ' N ' HD12 ' A' ' 428' ' ' LEU . 96.9 t 59.55 85.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 70.12 111.133 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 67.54 141.27 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.772 -0.728 . . . . 25.3 112.456 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.7 ' HB2' HD13 ' A' ' 428' ' ' LEU . 1.0 OUTLIER -178.05 134.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 75.24 110.905 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -67.4 88.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 64.41 112.493 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -53.19 134.1 39.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 72.32 110.85 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 28.3 p -143.33 84.02 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.87 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 8.4 t 67.1 117.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 45.03 111.099 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.36 128.42 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 70.31 111.083 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.33 -173.37 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.3 111.127 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.78 67.88 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.914 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 18.8 m -146.06 -173.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 34.11 111.153 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.424 ' CD2' HD22 ' A' ' 428' ' ' LEU . 0.3 OUTLIER 63.2 162.19 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 61.0 110.96 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 445' ' ' ALA . 25.5 m120 57.8 95.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 64.43 110.873 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.04 -36.65 19.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.11 110.855 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 6.0 t -54.71 -53.56 53.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 75.3 110.875 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . 0.538 HD13 ' CE1' ' A' ' 420' ' ' TYR . 13.9 mt -73.8 -35.77 64.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 75.3 110.889 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 441' ' ' ASN . . . -51.67 -35.77 43.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 72.32 111.095 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.18 -52.95 61.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 72.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -36.18 61.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 64.54 110.92 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -59.18 -58.79 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 53.15 110.894 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -52.16 -36.45 51.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.915 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -64.97 -38.6 91.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.852 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -77.32 -55.9 5.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.894 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -36.27 53.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.843 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.69 -35.82 56.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.081 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.41 -43.02 15.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.14 110.87 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.48 176.2 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.887 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.6 m -148.97 92.57 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 60.34 111.148 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 5.3 pttm -60.12 -173.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 72.51 110.871 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 48.8 t0 63.29 90.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 75.11 110.879 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.11 166.37 10.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 44.03 110.926 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -152.12 160.43 28.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 70.4 112.486 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.27 -35.76 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 74.2 110.917 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 179.19 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 65.12 110.88 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -165.23 -70.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 54.43 112.485 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -47.34 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.629 2.219 . . . . 72.11 112.378 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 61.01 94.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.928 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.33 -62.19 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.878 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 65.2 110.903 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.893 0.378 . . . . 74.43 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' B' ' 342' ' ' ALA . 1.6 t-20 -179.33 -170.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 74.02 110.886 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 341' ' ' ASN . . . 66.74 175.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 50.42 111.076 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -169.04 66.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.44 111.096 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 52.0 p -62.35 -169.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 61.04 110.833 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -135.57 -63.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.35 110.857 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.69 120.1 9.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 65.14 111.099 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.53 -48.93 53.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.841 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.25 -37.42 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 74.02 110.851 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.86 -35.03 64.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 75.42 110.848 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.8 t -69.68 -37.71 76.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 65.45 110.874 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . 0.672 ' CZ ' HD21 ' B' ' 383' ' ' LEU . 11.4 ptm180 -74.64 -34.48 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 64.45 110.917 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.77 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.2 mp -69.85 -48.15 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 63.21 110.867 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -56.75 -29.47 62.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 64.41 110.913 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -75.65 -39.79 57.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 71.42 110.866 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.77 HD12 ' HA ' ' B' ' 352' ' ' LEU . 18.1 mt -59.98 -38.28 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.148 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -71.68 -45.15 62.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.891 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.07 95.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 75.04 111.065 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -55.28 -46.4 76.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.88 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.442 HG23 ' SG ' ' B' ' 373' ' ' CYS . 48.4 mt -64.21 -33.98 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 62.43 111.151 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -62.93 -52.13 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.3 110.92 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -69.67 -30.09 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.88 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 15.3 p -75.72 -28.41 58.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.846 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.409 HD12 HG22 ' B' ' 359' ' ' ILE . 38.1 mt -94.01 26.8 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 45.15 110.911 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.37 170.48 8.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.89 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 0.958 HD11 HG22 ' A' ' 403' ' ' ILE . 5.5 tp -84.26 -38.77 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.33 111.147 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -91.91 -32.51 15.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 64.14 110.868 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -106.67 36.49 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 65.1 110.878 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 406' ' ' PHE . 16.6 tp -56.55 107.78 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.897 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -134.88 76.25 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.871 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.583 ' HB ' HD11 ' A' ' 412' ' ' ILE . 12.2 m -51.36 -28.79 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 64.02 111.133 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -51.8 -37.9 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.914 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -35.62 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 64.21 110.856 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.442 ' SG ' HG23 ' B' ' 359' ' ' ILE . 8.2 t -54.65 -58.84 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 61.02 110.916 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.26 -39.53 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 64.33 111.116 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.4 -36.86 74.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.568 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -77.02 -53.79 7.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 73.15 111.104 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 17.2 mt -52.21 -35.78 50.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 72.3 110.93 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -64.93 -37.1 86.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 54.03 110.853 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.1 -50.14 56.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 62.51 110.883 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.672 HD13 ' O ' ' B' ' 380' ' ' LEU . 1.9 tm? -55.68 -36.77 67.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.925 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . 0.487 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -68.74 -35.82 77.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.079 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -35.17 59.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 63.33 110.835 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.672 HD21 ' CZ ' ' B' ' 351' ' ' ARG . 33.8 mt -60.6 136.93 58.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 71.02 110.969 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -93.93 56.48 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 65.43 110.905 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.95 137.54 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 70.11 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -100.44 172.93 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 45.24 111.147 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.12 -38.86 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 75.31 110.852 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -54.63 -51.63 64.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 74.44 110.915 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -73.84 -36.7 64.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.65 73.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 62.03 111.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . 0.496 ' O ' HG23 ' B' ' 394' ' ' THR . 1.6 mt-30 -52.18 -36.13 50.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 71.43 110.942 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -75.21 -35.91 61.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 54.25 110.885 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . 0.509 ' CG ' HD23 ' B' ' 352' ' ' LEU . 80.3 m80 -98.18 35.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 74.34 110.842 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.595 HG22 ' CZ ' ' A' ' 427' ' ' PHE . 7.5 p -63.17 -34.85 78.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 54.13 111.159 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.38 -49.45 72.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.885 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 55.3 ttp -55.43 -35.84 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 75.43 110.885 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.812 ' HA ' HD12 ' B' ' 400' ' ' LEU . 52.8 mt -65.77 -35.38 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.44 111.146 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 2.8 m -59.79 -42.37 93.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 55.43 111.181 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 96.6 m -61.59 -40.63 95.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 71.54 111.129 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.812 HD12 ' HA ' ' B' ' 397' ' ' ILE . 15.7 mt -53.03 -35.15 59.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.93 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -76.32 -28.49 56.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 60.31 110.91 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -75.55 -35.76 60.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.924 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.941 HG22 HD11 ' A' ' 365' ' ' ILE . 35.6 pt -72.97 -1.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 52.0 111.154 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.77 -34.82 45.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.892 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.13 -18.26 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 65.42 110.869 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.513 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -41.13 119.87 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 70.24 110.922 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.7 134.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 62.2 110.875 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 8.6 p -61.27 135.74 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 71.22 111.146 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 29.9 t -72.19 174.02 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 64.22 110.852 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.94 -34.27 64.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 73.33 110.91 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . 0.428 HG13 HG13 ' B' ' 412' ' ' ILE . 5.3 p -53.31 -41.0 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 73.1 111.14 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.579 HD11 ' HB ' ' A' ' 370' ' ' VAL . 93.4 mt -73.75 -48.32 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 71.34 111.139 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 20.1 mtm -56.77 -33.25 66.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.902 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -72.75 -53.45 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -58.48 -40.04 81.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.854 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.2 p -54.98 -49.63 70.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 61.13 110.832 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 86.3 m -55.61 -40.39 72.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 52.43 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 11.6 ttp -56.7 -48.73 77.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.834 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.625 HD13 HD12 ' A' ' 380' ' ' LEU . 57.8 mt -72.57 -37.12 68.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 43.52 110.924 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.51 ' CE1' HD13 ' B' ' 444' ' ' LEU . 29.5 t80 -63.03 -41.82 99.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.05 110.898 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -45.34 58.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.53 110.887 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -53.4 -49.82 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.894 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -60.22 -42.2 94.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 54.34 110.932 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -56.49 -51.36 68.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 71.03 110.863 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -52.12 -35.76 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 62.42 110.872 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 34.5 mtm -73.79 -34.76 64.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.903 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . 0.607 ' CZ ' HG22 ' A' ' 394' ' ' THR . 17.2 m-85 -69.27 -36.58 77.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.915 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.691 HD13 ' HB2' ' B' ' 431' ' ' GLU . 4.3 pp -85.3 -35.1 21.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.545 ' N ' HD12 ' B' ' 428' ' ' LEU . 96.9 t 59.66 86.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.44 111.129 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 68.4 142.22 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 42.01 112.451 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.691 ' HB2' HD13 ' B' ' 428' ' ' LEU . 1.0 OUTLIER -179.35 130.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 62.22 110.866 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -77.19 68.38 2.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 64.44 112.466 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.82 131.68 35.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 74.12 110.86 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . 0.595 ' O ' HG13 ' B' ' 435' ' ' VAL . 28.0 p -143.52 35.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 63.33 110.858 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.595 HG13 ' O ' ' B' ' 434' ' ' SER . 0.0 OUTLIER -169.64 90.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 65.41 111.135 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 2.1 mp -60.43 109.68 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 70.25 111.122 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -162.18 -172.52 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 73.13 111.13 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.87 70.0 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 54.42 110.9 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 19.4 m -146.2 -174.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 74.11 111.144 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . 0.453 HD23 HD22 ' B' ' 428' ' ' LEU . 0.3 OUTLIER 63.08 162.23 0.1 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.918 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . 0.485 ' O ' ' HB2' ' B' ' 445' ' ' ALA . 25.2 m120 58.06 95.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 71.33 110.875 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -36.82 18.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.869 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 6.0 t -54.83 -53.16 58.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 55.1 110.86 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . 0.51 HD13 ' CE1' ' B' ' 420' ' ' TYR . 14.0 mt -74.04 -35.95 64.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.914 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' B' ' 441' ' ' ASN . . . -51.68 -35.62 43.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 72.51 111.097 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.25 -52.96 61.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.867 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -36.03 60.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 75.01 110.929 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -59.19 -58.76 7.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.911 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -52.25 -37.02 54.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.875 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -64.66 -38.3 90.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 65.3 110.843 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -77.6 -55.66 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.43 110.837 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.55 -36.14 55.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 65.55 110.906 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.58 -35.73 54.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 64.13 111.082 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.35 -42.88 15.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.897 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.4 176.25 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.913 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 2.6 m -149.26 92.21 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 63.12 111.141 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -59.89 -174.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 73.2 110.893 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 48.6 t0 63.25 91.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.877 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.57 166.05 10.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 60.35 110.883 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -151.89 160.29 28.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 71.53 112.511 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 -32.87 4.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.864 0.364 . . . . 72.41 110.91 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.72 179.83 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 72.34 110.901 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -166.35 -70.84 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 65.23 112.486 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.04 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.652 2.234 . . . . 74.05 112.357 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 61.38 94.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 71.54 110.886 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.19 -62.61 1.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 72.33 110.858 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 61.23 110.907 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.893 0.378 . . . . 74.34 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -141.3 154.47 45.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 73.04 110.94 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -85.88 94.36 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 50.24 111.095 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -120.67 -37.93 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.12 111.117 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 3.0 t 63.5 166.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 73.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.75 -175.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.828 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 11.9 p 50.33 33.79 8.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 73.11 111.19 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -36.0 69.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 60.3 110.872 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -39.78 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 71.15 110.925 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.85 -35.72 64.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.807 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -37.74 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.825 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.405 HH11 HD22 ' A' ' 383' ' ' LEU . 8.4 ptp180 -74.72 -33.93 62.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 74.54 110.929 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.672 ' HA ' HD12 ' A' ' 355' ' ' ILE . 1.5 mp -70.7 -47.8 57.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.52 110.884 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -56.76 -29.36 62.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.908 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -77.23 -39.65 47.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.874 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 352' ' ' LEU . 18.2 mt -62.22 -39.22 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.14 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -72.06 -41.56 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.44 110.856 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.19 -43.02 79.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 63.02 111.085 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.13 -43.81 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 64.34 110.87 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.449 HG22 HD12 ' A' ' 363' ' ' LEU . 44.4 mt -64.62 -34.89 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 73.32 111.163 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -58.45 -47.28 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.875 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.75 -30.78 59.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 61.12 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 7.0 p -77.98 -3.08 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.51 110.857 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.449 HD12 HG22 ' A' ' 359' ' ' ILE . 50.4 mt -121.27 26.06 9.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 63.44 110.917 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 170.88 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.902 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 1.097 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.81 -41.11 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.13 111.125 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.428 ' N ' HG23 ' A' ' 365' ' ' ILE . 21.7 t0 -91.97 -32.46 15.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.891 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.78 36.26 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 65.54 110.871 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.548 HD13 ' CD1' ' B' ' 406' ' ' PHE . 16.9 tp -53.52 107.79 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 61.41 110.895 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.99 68.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.846 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.621 ' HB ' HD11 ' B' ' 412' ' ' ILE . 9.8 m -52.15 -30.91 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.112 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -52.38 -41.44 63.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 71.21 110.822 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.6 -33.42 60.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.897 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 31.0 t -53.11 -47.24 68.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 70.04 110.952 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.45 -47.14 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 55.44 111.116 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.88 -35.08 43.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.855 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.461 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.37 -53.96 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 74.24 111.08 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.09 -39.28 63.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 72.3 110.916 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.22 -36.07 82.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 44.25 110.872 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.52 -45.68 68.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 34.12 110.892 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.653 HD12 HD13 ' B' ' 419' ' ' LEU . 3.2 tm? -57.32 -35.42 69.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.497 . . . . 52.31 110.893 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.536 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -70.32 -39.91 74.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 53.33 111.08 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -36.55 73.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.827 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.405 HD22 HH11 ' A' ' 351' ' ' ARG . 64.9 mt -59.31 136.88 58.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 63.21 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -89.11 66.49 7.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.02 110.874 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.34 142.89 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 44.12 111.092 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.2 t -112.59 171.49 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 72.12 111.161 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 2.8 ttt -55.97 -36.62 68.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 74.23 110.865 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -55.06 -59.3 4.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 70.25 110.898 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -67.44 -37.86 83.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.942 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.38 -45.21 88.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 73.34 111.089 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . 0.584 ' O ' HG23 ' A' ' 394' ' ' THR . 1.1 mt-30 -51.65 -36.09 44.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.93 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.1 -35.18 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.12 110.917 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.44 ' CG ' HD23 ' A' ' 352' ' ' LEU . 79.7 m80 -95.27 35.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 70.14 110.847 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 391' ' ' GLN . 8.5 p -59.03 -34.62 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 63.35 111.148 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -55.37 -48.77 73.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 65.31 110.87 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 58.4 ttp -55.41 -38.01 68.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.884 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.722 ' HA ' HD12 ' A' ' 400' ' ' LEU . 41.9 mt -68.15 -35.68 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 64.34 111.148 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 6.9 m -60.51 -43.6 96.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 71.25 111.119 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 63.1 m -62.4 -39.4 93.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 64.32 111.136 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.722 HD12 ' HA ' ' A' ' 397' ' ' ILE . 55.6 mt -51.91 -37.94 54.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.926 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.3 -28.96 57.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 75.05 110.886 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -75.0 -35.52 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 71.01 110.9 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.051 HG22 HD11 ' B' ' 365' ' ' ILE . 36.8 pt -73.57 -1.73 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.145 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -33.58 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 64.01 110.842 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.28 -20.27 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.885 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.555 ' HE2' HG13 ' B' ' 408' ' ' VAL . 0.8 OUTLIER -42.9 113.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.877 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -175.4 134.0 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 74.21 110.905 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.564 HG13 ' HE2' ' B' ' 406' ' ' PHE . 2.3 m -52.66 145.43 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 43.23 111.144 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 35.5 t -86.59 156.61 19.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.856 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -52.09 -36.07 49.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.892 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . 0.406 HG13 HG13 ' A' ' 412' ' ' ILE . 6.2 p -58.48 -40.0 77.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 73.11 111.112 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.657 HD11 ' HB ' ' B' ' 370' ' ' VAL . 81.9 mt -72.48 -49.87 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.141 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 8.5 mtt -60.77 -31.93 71.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 65.12 110.867 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -73.23 -52.92 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 73.25 110.932 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -58.89 -39.47 81.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.21 110.924 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 80.3 p -55.1 -50.95 67.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 71.33 110.806 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 40.3 m -52.72 -46.12 67.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 73.02 111.142 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 42.1 ttp -51.89 -52.19 51.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.867 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.705 HD13 HD12 ' B' ' 380' ' ' LEU . 40.1 mt -66.93 -43.38 83.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.2 110.92 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -53.19 -56.11 18.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.919 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -63.0 -35.66 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.897 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -53.29 -53.64 47.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 74.31 110.912 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.639 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 20.7 m-85 -75.47 -36.89 60.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 74.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -55.56 -41.82 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 63.42 110.9 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -34.82 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 44.24 110.881 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 28.8 mtm -76.31 -34.43 59.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.854 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.467 ' CZ ' HG22 ' B' ' 394' ' ' THR . 6.6 m-85 -74.11 -37.01 64.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 65.35 110.886 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.3 pp -84.25 -35.21 23.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.946 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.512 ' N ' HD12 ' A' ' 428' ' ' LEU . 93.2 t 55.76 88.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 70.12 111.146 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 60.57 -96.55 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.799 -0.715 . . . . 25.3 112.491 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -157.79 102.11 1.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.936 0.398 . . . . 75.24 110.852 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -56.07 -77.95 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.759 . . . . 64.41 112.506 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -115.76 110.63 19.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 72.32 110.847 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.89 111.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.02 110.866 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 30.4 m -147.34 149.15 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 45.03 111.138 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.08 -32.85 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 70.31 111.122 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 439' ' ' VAL . 31.0 p -62.24 177.75 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 73.3 111.161 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -61.28 119.46 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 73.44 110.865 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 437' ' ' THR . 7.6 t -116.03 50.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 34.11 111.087 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.597 HD21 ' HE3' ' A' ' 461' ' ' LYS . 2.0 mt -115.77 -36.09 4.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 61.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -146.56 161.39 40.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 64.43 110.885 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -114.74 -67.93 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 73.11 110.922 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -53.4 57.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.3 110.881 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.36 -36.04 82.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.3 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -52.04 -38.69 57.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 72.32 111.115 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.08 -58.86 6.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -65.81 -36.42 83.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 64.54 110.874 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -52.58 -38.14 59.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 53.15 110.847 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -52.45 63.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.904 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -47.94 56.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 75.51 110.819 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -52.24 -40.01 61.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 75.33 110.877 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.2 -37.02 80.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 75.21 110.887 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.93 -35.7 46.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 74.2 111.103 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.44 -37.18 86.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.87 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.86 -171.03 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 73.14 110.912 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.08 95.66 2.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 60.34 111.125 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -173.73 147.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.51 110.868 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -138.3 -176.24 4.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.889 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.06 -64.56 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 44.03 110.947 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 111.65 162.52 17.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.776 -0.726 . . . . 70.4 112.451 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.597 ' HE3' HD21 ' A' ' 440' ' ' LEU . 3.7 mttm -169.03 179.3 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 74.2 110.905 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.92 150.96 22.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 65.12 110.892 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -111.74 165.75 12.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 54.43 112.446 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -44.29 2.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 72.11 112.325 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 56.9 t30 63.67 70.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 63.41 110.895 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 65.95 169.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.883 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 65.2 110.904 179.88 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 42.0 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.879 0.371 . . . . 74.43 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -139.22 157.09 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 74.02 110.897 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -88.06 97.11 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 50.42 111.104 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -121.05 -45.81 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.092 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 2.9 t 51.95 77.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 61.04 110.851 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.66 163.14 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 74.35 110.857 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 14.9 p 49.79 43.83 24.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 65.14 111.172 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.26 -34.42 78.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 65.44 110.812 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -38.07 61.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 74.02 110.875 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.49 -35.94 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.42 110.829 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -38.17 79.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 65.45 110.829 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.62 -35.78 62.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 64.45 110.831 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.719 ' HA ' HD12 ' B' ' 355' ' ' ILE . 10.3 mt -70.52 -47.89 58.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 63.21 110.939 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -56.99 -29.36 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.894 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -76.3 -39.36 54.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.877 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' B' ' 352' ' ' LEU . 13.8 mt -62.54 -40.09 86.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.43 111.131 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -69.27 -39.71 78.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.88 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.6 -42.24 71.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 75.04 111.094 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.72 -43.14 76.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 74.45 110.849 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.441 HG22 HD12 ' B' ' 363' ' ' LEU . 44.3 mt -64.71 -35.19 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 62.43 111.086 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -58.34 -46.97 85.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.859 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.65 -30.98 59.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 75.2 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.0 p -78.07 -3.04 40.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.836 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.441 HD12 HG22 ' B' ' 359' ' ' ILE . 50.6 mt -121.39 26.05 9.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.489 . . . . 45.15 110.937 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 171.23 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.881 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.051 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.94 -40.74 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 74.33 111.134 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.425 ' N ' HG23 ' B' ' 365' ' ' ILE . 21.8 t0 -92.57 -32.28 14.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.871 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.8 36.36 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 65.1 110.87 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 406' ' ' PHE . 18.0 tp -53.68 107.71 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.919 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.43 68.94 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.844 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.657 ' HB ' HD11 ' A' ' 412' ' ' ILE . 10.2 m -51.91 -30.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 64.02 111.127 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -52.23 -41.19 62.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 73.44 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -75.8 -33.2 60.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 64.21 110.838 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 31.3 t -53.25 -47.94 68.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 61.02 110.889 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -64.54 -46.35 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 64.33 111.13 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.94 -35.83 47.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 75.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.614 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.01 -53.87 7.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.15 111.096 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 13.1 mt -52.37 -36.6 54.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.871 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.44 -36.12 82.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 54.03 110.86 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -49.89 57.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 62.51 110.92 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.705 HD12 HD13 ' A' ' 419' ' ' LEU . 3.1 tm? -54.26 -35.96 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 72.31 110.959 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . 0.511 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -69.93 -42.8 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.22 111.081 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -36.26 77.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 63.33 110.826 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 65.2 mt -59.84 136.91 58.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 71.02 110.895 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -88.74 66.36 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 65.43 110.914 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.15 142.28 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 70.11 111.123 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -112.31 171.29 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 45.24 111.163 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 2.8 ttt -55.42 -37.12 67.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 75.31 110.839 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.72 -59.17 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 74.44 110.898 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -67.68 -37.59 82.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.94 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.04 88.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 62.03 111.086 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . 0.593 ' O ' HG23 ' B' ' 394' ' ' THR . 1.2 mt-30 -52.19 -35.95 50.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.889 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -35.52 45.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 54.25 110.895 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -95.23 35.52 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.863 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 391' ' ' GLN . 7.1 p -58.58 -34.89 71.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 54.13 111.12 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -55.35 -49.25 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.886 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 60.9 ttp -55.7 -35.79 66.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.903 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.727 ' HA ' HD12 ' B' ' 400' ' ' LEU . 22.9 mt -69.08 -36.45 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 71.44 111.123 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 7.3 m -61.51 -43.13 99.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 55.43 111.115 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 62.1 m -61.28 -41.13 96.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 71.54 111.146 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' B' ' 397' ' ' ILE . 25.8 mt -52.67 -36.14 56.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.891 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.68 -28.84 56.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 60.31 110.869 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -75.89 -35.29 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 72.14 110.928 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 1.097 HG22 HD11 ' A' ' 365' ' ' ILE . 40.3 pt -73.12 -1.76 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 52.0 111.152 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -33.82 44.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 71.35 110.884 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.69 -20.26 7.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 65.42 110.844 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.564 ' HE2' HG13 ' A' ' 408' ' ' VAL . 0.8 OUTLIER -42.65 113.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 70.24 110.885 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -175.67 134.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 62.2 110.922 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.555 HG13 ' HE2' ' A' ' 406' ' ' PHE . 2.3 m -52.63 144.74 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 71.22 111.101 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 35.9 t -85.81 156.66 20.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 64.22 110.802 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -51.98 -36.15 48.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 73.33 110.87 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . 0.405 HG13 HG13 ' B' ' 412' ' ' ILE . 6.1 p -58.29 -40.18 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 73.1 111.144 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.621 HD11 ' HB ' ' A' ' 370' ' ' VAL . 81.9 mt -72.08 -50.09 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 71.34 111.144 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 8.6 mtt -60.47 -32.43 71.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.871 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -72.82 -52.76 13.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.902 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -58.73 -39.89 82.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.911 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.0 p -55.13 -50.47 69.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 61.13 110.834 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 36.2 m -52.87 -46.66 68.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 52.43 111.157 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 42.2 ttp -51.81 -52.18 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.891 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.653 HD13 HD12 ' A' ' 380' ' ' LEU . 41.0 mt -66.65 -43.85 83.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 43.52 110.938 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -51.58 -57.84 7.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 75.05 110.958 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -60.53 -34.88 74.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 72.53 110.883 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -53.28 -53.71 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.45 110.925 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.578 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 82.2 m-85 -74.02 -40.53 62.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 54.34 110.907 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -53.6 -44.02 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 71.03 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -35.93 79.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 62.42 110.868 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 29.0 mtm -76.56 -34.35 58.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . 0.476 ' CZ ' HG22 ' A' ' 394' ' ' THR . 6.8 m-85 -74.44 -36.6 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.888 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.488 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.3 pp -84.58 -35.63 22.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 72.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.488 ' N ' HD12 ' B' ' 428' ' ' LEU . 94.0 t 55.49 89.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.115 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 60.52 -96.46 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 42.01 112.499 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -158.05 102.18 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 62.22 110.88 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -55.98 -77.29 0.16 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 64.44 112.475 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -116.31 110.17 18.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 74.12 110.851 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.72 110.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 63.33 110.879 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 30.9 m -146.58 153.13 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 65.41 111.125 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.26 -35.38 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 70.25 111.125 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.415 ' O ' HG23 ' B' ' 439' ' ' VAL . 31.4 p -60.33 178.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 73.13 111.148 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -61.57 120.33 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 54.42 110.909 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 437' ' ' THR . 7.5 t -116.71 50.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.144 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . 0.476 HD21 ' HE3' ' B' ' 461' ' ' LYS . 2.1 mt -115.54 -36.12 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.913 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' B' ' 445' ' ' ALA . 1.3 m-20 -146.43 161.1 41.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 71.33 110.885 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -114.29 -67.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.929 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -53.28 59.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 55.1 110.863 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.51 -36.16 83.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 73.22 110.904 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' B' ' 441' ' ' ASN . . . -51.94 -38.78 57.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 72.51 111.105 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -56.05 -58.79 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.921 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -65.64 -36.51 83.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.01 110.917 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -52.55 -37.9 58.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.882 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -53.08 60.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.927 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -47.16 62.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 65.3 110.887 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -52.48 -40.89 62.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.847 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -36.54 80.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 65.55 110.878 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.09 -36.09 49.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 64.13 111.102 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.48 -37.06 85.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.42 110.903 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.76 -170.78 1.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 72.25 110.951 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.27 95.58 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 63.12 111.12 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -173.77 147.14 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.926 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -138.05 -176.14 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 72.44 110.841 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.16 -64.6 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 60.35 110.914 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 110.48 162.33 18.42 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 71.53 112.524 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . 0.476 ' HE3' HD21 ' B' ' 440' ' ' LEU . 3.7 mttm -168.75 178.53 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.786 0.327 . . . . 72.41 110.961 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.14 146.75 26.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 72.34 110.893 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -110.39 167.57 12.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 65.23 112.455 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -48.14 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.669 2.246 . . . . 74.05 112.339 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 57.2 t30 51.67 48.19 23.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.54 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 179.58 -178.99 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.892 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 61.23 110.892 179.886 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.868 0.366 . . . . 74.34 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 3.0 t30 179.71 160.58 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 73.04 110.896 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -95.36 58.34 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 50.24 111.094 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -112.06 176.72 4.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.101 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.76 -58.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.892 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.3 168.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 71.32 110.895 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.32 155.79 20.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.11 111.149 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 88.3 p -65.74 -40.52 92.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 60.3 110.822 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.5 tpt -61.4 -40.98 96.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 71.15 110.866 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -35.69 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 75.24 110.862 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -38.79 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.886 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -74.65 -34.17 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.863 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 355' ' ' ILE . 11.6 mt -71.51 -47.42 55.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 73.52 110.91 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.05 -28.3 62.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 72.33 110.933 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -74.66 -35.56 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 75.43 110.875 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 352' ' ' LEU . 32.8 mt -63.26 -41.09 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.164 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -71.85 -40.91 68.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 71.44 110.889 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.93 -44.96 75.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 63.02 111.099 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -55.12 -48.19 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 64.34 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.524 HG22 HD12 ' A' ' 363' ' ' LEU . 43.3 mt -61.68 -35.19 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.11 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -59.35 -46.19 89.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.907 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -75.8 -30.4 59.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 61.12 110.922 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -80.15 -1.16 39.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 73.51 110.867 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.524 HD12 HG22 ' A' ' 359' ' ' ILE . 38.4 mt -121.84 26.16 8.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 63.44 110.929 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.54 170.09 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.89 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 1.086 HD11 HG22 ' B' ' 403' ' ' ILE . 6.0 tp -84.71 -39.74 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 75.13 111.141 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.407 ' N ' HG23 ' A' ' 365' ' ' ILE . 2.8 p30 -91.75 -32.28 15.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 72.25 110.876 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -111.84 36.64 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 65.54 110.872 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.601 HD13 ' CE1' ' B' ' 406' ' ' PHE . 17.2 tp -53.24 107.92 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 61.41 110.892 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -123.98 69.29 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.15 110.897 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.654 ' HB ' HD11 ' B' ' 412' ' ' ILE . 7.5 m -52.28 -29.1 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 73.32 111.105 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -52.03 -43.12 63.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.89 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -75.02 -33.69 61.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.838 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 37.4 t -53.33 -42.04 66.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.888 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -70.3 -47.61 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 55.44 111.133 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -51.63 -35.36 41.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.866 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.499 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -74.83 -52.39 11.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.098 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 10.5 mt -52.08 -36.07 49.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.969 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.6 -42.32 91.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 44.25 110.837 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -45.94 90.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 34.12 110.906 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.848 HD21 ' HE3' ' A' ' 396' ' ' MET . 0.2 OUTLIER -52.34 -52.48 53.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 52.31 110.922 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.49 -30.67 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 53.33 111.103 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.53 -35.22 60.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.862 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.21 108.64 4.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 63.21 110.925 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.54 59.93 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.876 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . 0.409 HG23 ' CB ' ' A' ' 389' ' ' GLN . 5.8 p -67.2 137.57 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 44.12 111.166 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -92.19 171.64 8.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.12 111.115 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -38.35 63.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.83 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -52.09 -58.3 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 70.25 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . 0.409 ' CB ' HG23 ' A' ' 385' ' ' VAL . 2.4 mp0 -71.29 -35.76 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.912 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.39 -51.25 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.121 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -51.92 -38.49 56.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -71.72 -34.77 69.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.893 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -95.2 35.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 70.14 110.803 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.718 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.0 OUTLIER -61.34 -38.11 85.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 63.35 111.116 -179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.48 -43.68 75.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 65.31 110.862 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.848 ' HE3' HD21 ' A' ' 380' ' ' LEU . 29.8 ttp -57.35 -48.61 78.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.864 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.802 ' HA ' HD12 ' A' ' 400' ' ' LEU . 5.2 mt -57.43 -38.08 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 64.34 111.15 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -41.63 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 71.25 111.18 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.8 m -63.94 -37.47 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 64.32 111.116 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' ' 397' ' ' ILE . 27.0 mt -57.18 -35.58 69.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 73.43 110.922 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -77.17 -28.97 54.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 75.05 110.912 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -75.94 -34.22 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 71.01 110.882 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.033 HG22 HD11 ' B' ' 365' ' ' ILE . 41.1 pt -74.19 -1.7 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 75.44 111.141 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -34.02 37.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.875 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.19 -20.22 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.874 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.559 ' CE1' HG13 ' B' ' 408' ' ' VAL . 0.7 OUTLIER -42.04 114.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.906 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.405 ' HG3' ' HG3' ' B' ' 407' ' ' LYS . 0.0 OUTLIER -176.68 130.01 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.952 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.551 HG13 ' HE2' ' B' ' 406' ' ' PHE . 2.9 m -54.49 141.84 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 43.23 111.079 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 41.2 t -80.57 159.35 25.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.89 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.15 -35.62 67.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.5 p -56.24 -40.07 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 73.11 111.141 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.679 HD11 ' HB ' ' B' ' 370' ' ' VAL . 83.5 mt -72.54 -50.5 34.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.31 111.107 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.6 mtm -59.34 -32.69 70.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 65.12 110.857 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.04 -52.94 12.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 73.25 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -58.78 -39.81 82.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 75.21 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 80.9 p -55.07 -50.96 67.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.839 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 51.7 m -53.7 -43.81 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 73.02 111.12 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.6 ttp -53.61 -50.51 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.883 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' B' ' 381' ' ' ALA . 35.2 mt -69.93 -40.17 75.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 71.2 110.891 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -53.12 -51.24 62.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.941 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.455 ' HA ' ' HZ3' ' A' ' 424' ' ' LYS . 19.7 m-80 -70.06 -35.85 74.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 73.14 110.941 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -53.95 -53.36 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.924 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -67.71 -37.07 81.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . 0.573 ' HE2' HD22 ' A' ' 440' ' ' LEU . 0.1 OUTLIER -56.42 -45.63 80.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 63.42 110.894 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.41 ' HA ' HD21 ' A' ' 428' ' ' LEU . 1.6 m-80 -51.86 -36.91 50.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 44.24 110.889 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 33.4 mtm -79.11 -35.22 42.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.923 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -68.22 -35.94 78.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 65.35 110.888 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.4 pp -83.58 -35.02 25.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.864 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.541 ' N ' HD12 ' A' ' 428' ' ' LEU . 97.5 t 59.88 87.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 70.12 111.104 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -159.3 -162.21 11.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 25.3 112.509 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -149.75 93.44 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 75.24 110.905 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -136.94 125.65 3.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 64.41 112.496 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -80.62 -38.4 29.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 72.32 110.904 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.4 p -80.37 160.63 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.866 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 10.4 m -128.87 141.17 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 45.03 111.153 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.431 HD12 ' HB2' ' A' ' 438' ' ' GLN . 1.1 pp -127.92 179.52 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 70.31 111.146 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.3 m -110.6 114.71 28.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.3 111.156 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . 0.431 ' HB2' HD12 ' A' ' 436' ' ' ILE . 0.0 OUTLIER -178.92 -170.13 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.915 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.88 125.3 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 34.11 111.147 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.573 HD22 ' HE2' ' A' ' 424' ' ' LYS . 11.0 mp -107.56 -35.51 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 61.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 445' ' ' ALA . 1.3 m-80 -51.73 150.86 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 64.43 110.883 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.11 -66.81 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.909 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.21 -54.96 12.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 75.3 110.837 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.71 -34.06 77.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 75.3 110.909 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.582 ' HB2' ' HB3' ' A' ' 441' ' ' ASN . . . -50.98 -33.87 26.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 72.32 111.076 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -54.93 -60.8 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 72.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.27 -47.51 49.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 64.54 110.89 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -35.68 44.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 53.15 110.882 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -51.54 -35.81 42.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.911 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.92 -35.87 57.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.852 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -58.54 3.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 75.33 110.862 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -51.64 -35.26 41.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 75.21 110.927 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.21 -35.54 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.2 111.097 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -62.84 -35.26 79.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.923 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 63.71 159.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.14 110.892 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.33 -42.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 60.34 111.129 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.74 86.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 72.51 110.896 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -70.76 -176.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.869 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -165.2 -179.51 5.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 44.03 110.96 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 150.8 -150.31 22.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.679 -0.772 . . . . 70.4 112.461 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.6 108.33 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 74.2 110.893 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.05 174.25 5.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 65.12 110.88 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -100.36 -172.42 29.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 54.43 112.516 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.03 69.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 72.11 112.347 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -146.04 -169.42 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 63.41 110.879 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.02 83.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.938 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 65.2 110.901 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.9 0.381 . . . . 74.43 110.9 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 2.9 t30 65.56 155.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 74.02 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -108.16 62.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 50.42 111.115 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -103.87 176.99 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.44 111.125 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.17 -57.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 61.04 110.844 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.55 168.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 74.35 110.887 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.63 154.91 22.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 65.14 111.143 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 88.3 p -65.69 -41.73 92.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 65.44 110.907 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.5 tpt -59.97 -40.64 89.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 74.02 110.863 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.21 -36.18 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.867 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -39.55 74.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 65.45 110.886 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -74.58 -34.43 62.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 64.45 110.829 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.776 ' HA ' HD12 ' B' ' 355' ' ' ILE . 12.3 mt -71.47 -47.79 53.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 63.21 110.919 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -57.96 -29.94 65.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 64.41 110.899 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -72.18 -35.91 69.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.869 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.776 HD12 ' HA ' ' B' ' 352' ' ' LEU . 21.3 mt -63.54 -41.37 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.43 111.121 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -70.45 -40.67 73.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 74.23 110.878 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.76 -44.37 73.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 75.04 111.113 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -55.24 -47.25 75.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.471 HG22 HD12 ' B' ' 363' ' ' LEU . 41.7 mt -61.97 -35.53 68.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 62.43 111.118 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -58.52 -46.42 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.3 110.913 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.62 -30.77 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.2 110.875 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -78.92 -2.75 41.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.867 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.471 HD12 HG22 ' B' ' 359' ' ' ILE . 47.8 mt -121.52 26.21 8.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 45.15 110.88 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -70.98 170.97 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.894 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.033 HD11 HG22 ' A' ' 403' ' ' ILE . 5.4 tp -84.4 -41.53 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.33 111.115 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.425 ' N ' HG23 ' B' ' 365' ' ' ILE . 2.8 p30 -91.56 -31.54 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 64.14 110.884 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -110.61 36.14 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 65.1 110.872 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 18.9 tp -53.6 107.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.928 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -125.51 69.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 74.12 110.819 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.679 ' HB ' HD11 ' A' ' 412' ' ' ILE . 7.8 m -52.64 -28.59 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 64.02 111.116 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -51.91 -43.01 63.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -75.16 -33.31 61.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 64.21 110.892 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 37.2 t -53.18 -43.48 67.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 61.02 110.87 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -68.81 -46.68 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 64.33 111.096 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -51.81 -35.78 45.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.584 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -74.65 -51.84 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.15 111.123 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . 0.458 HD23 HD12 ' A' ' 419' ' ' LEU . 10.4 mt -52.13 -36.12 50.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.892 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.97 -41.27 91.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 54.03 110.872 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -46.79 86.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 62.51 110.88 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.843 HD21 ' HE3' ' B' ' 396' ' ' MET . 0.2 OUTLIER -52.47 -52.76 52.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.899 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . 0.57 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -55.35 -30.71 60.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 71.22 111.114 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -35.1 60.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 63.33 110.829 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.98 109.07 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 71.02 110.915 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.61 60.07 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 65.43 110.915 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . 0.402 HG23 ' CB ' ' B' ' 389' ' ' GLN . 5.9 p -67.13 137.48 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 70.11 111.134 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -91.99 171.84 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 45.24 111.115 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -38.36 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.31 110.877 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -51.96 -58.12 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 74.44 110.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . 0.402 ' CB ' HG23 ' B' ' 385' ' ' VAL . 2.4 mp0 -71.41 -36.07 71.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.877 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.08 -51.28 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 62.03 111.079 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -52.28 -36.66 53.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 71.43 110.908 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -72.67 -35.28 67.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 54.25 110.9 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -95.34 35.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.709 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.0 OUTLIER -60.83 -38.49 85.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 54.13 111.149 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.38 -42.28 73.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.34 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . 0.843 ' HE3' HD21 ' B' ' 380' ' ' LEU . 28.3 ttp -58.31 -49.66 76.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.43 110.834 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.792 ' HA ' HD12 ' B' ' 400' ' ' LEU . 5.2 mt -56.7 -38.05 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 71.44 111.122 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -40.32 85.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 55.43 111.143 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -65.6 -35.86 82.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 71.54 111.162 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' B' ' 397' ' ' ILE . 28.4 mt -58.42 -36.13 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.892 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -28.86 56.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 60.31 110.879 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -74.91 -35.25 62.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.869 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 1.086 HG22 HD11 ' A' ' 365' ' ' ILE . 34.7 pt -73.77 -1.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 52.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -34.76 50.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 71.35 110.876 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.96 -19.03 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 65.42 110.894 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.601 ' CE1' HD13 ' A' ' 368' ' ' LEU . 1.7 t80 -42.71 114.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 70.24 110.86 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . 0.405 ' HG3' ' HG3' ' A' ' 407' ' ' LYS . 0.0 OUTLIER -178.28 134.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 62.2 110.881 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.559 HG13 ' CE1' ' A' ' 406' ' ' PHE . 2.1 m -51.21 155.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 71.22 111.162 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.3 t -96.65 156.14 16.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.892 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -51.6 -35.41 41.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.934 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -59.58 -39.81 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.128 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.654 HD11 ' HB ' ' A' ' 370' ' ' VAL . 82.6 mt -72.38 -52.17 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 71.34 111.125 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.5 mtm -58.8 -31.16 68.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.837 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.17 -53.36 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.913 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -58.57 -39.11 79.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.32 110.856 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.4 p -55.09 -51.99 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 61.13 110.825 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 44.9 m -52.6 -44.63 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 52.43 111.114 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.6 ttp -53.23 -50.33 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.852 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.49 HD12 HD12 ' A' ' 380' ' ' LEU . 4.3 mm? -69.05 -42.47 76.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 43.52 110.924 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -51.81 -52.0 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.947 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -68.63 -36.01 78.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.913 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -54.38 -53.49 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 71.45 110.86 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -67.56 -36.24 80.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 54.34 110.847 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -45.52 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 71.03 110.89 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . 0.407 ' HA ' HD21 ' B' ' 428' ' ' LEU . 1.6 m-80 -51.85 -36.71 49.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 62.42 110.837 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 33.6 mtm -79.45 -35.2 40.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.889 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -68.25 -36.01 78.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 71.21 110.841 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.546 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.4 pp -83.41 -35.1 25.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 72.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.546 ' N ' HD12 ' B' ' 428' ' ' LEU . 97.2 t 59.77 86.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.104 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -159.07 -162.15 11.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 42.01 112.531 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -149.63 93.38 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 62.22 110.925 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -136.86 125.6 3.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 64.44 112.495 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -80.63 -38.24 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 74.12 110.873 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 3.4 p -80.51 160.64 25.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 63.33 110.847 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 3.3 p -128.96 141.32 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 65.41 111.132 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.437 HD12 ' HB2' ' B' ' 438' ' ' GLN . 1.1 pp -128.02 179.4 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 70.25 111.113 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 1.3 m -110.55 114.73 28.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.13 111.158 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . 0.437 ' HB2' HD12 ' B' ' 436' ' ' ILE . 0.0 OUTLIER -178.9 -170.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 54.42 110.927 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.45 125.04 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.101 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . 0.44 ' N ' HD22 ' B' ' 440' ' ' LEU . 1.8 mm? -107.16 -35.94 6.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 73.25 110.869 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . 0.577 ' HB3' ' HB2' ' B' ' 445' ' ' ALA . 1.3 m-80 -51.85 150.95 3.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 71.33 110.855 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.2 -66.38 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.91 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.66 -54.91 11.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 55.1 110.855 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.73 -34.56 78.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 73.22 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . 0.577 ' HB2' ' HB3' ' B' ' 441' ' ' ASN . . . -50.69 -34.25 25.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.51 111.095 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.31 -59.51 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.897 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.39 -49.15 35.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.905 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -35.23 35.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.21 110.875 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -51.71 -35.49 43.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.952 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.55 -38.08 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 65.3 110.838 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -56.55 8.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.865 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -51.91 -34.9 43.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 65.55 110.911 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.11 -35.75 36.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 64.13 111.082 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -61.07 -35.36 76.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.894 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.84 154.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.25 110.897 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.95 49.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 63.12 111.175 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.73 105.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 73.2 110.911 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -70.58 -172.83 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 72.44 110.929 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -164.39 -178.34 5.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 60.35 110.932 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 152.04 -150.35 22.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 71.53 112.465 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.86 106.34 2.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.346 . . . . 72.41 110.944 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.95 170.62 7.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 72.34 110.896 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -98.37 166.4 21.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.759 . . . . 65.23 112.453 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 134.68 28.44 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.651 2.234 . . . . 74.05 112.346 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -154.03 126.17 7.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 71.54 110.912 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.46 36.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.902 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 61.23 110.914 179.831 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.909 0.385 . . . . 74.34 110.835 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.25 107.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 73.04 110.932 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -54.73 127.65 29.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 50.24 111.097 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -95.02 35.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 74.12 111.114 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 67.8 m -133.18 -177.8 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 73.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.78 -78.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 71.32 110.866 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 9.4 t -76.21 -34.66 59.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 73.11 111.16 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 29.4 t -52.68 -36.02 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 60.3 110.846 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -38.62 62.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 71.15 110.842 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.74 -36.09 65.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.41 . . . . 75.24 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 31.4 t -69.21 -38.68 78.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.85 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.429 HH11 HD22 ' A' ' 383' ' ' LEU . 10.5 ptp180 -74.69 -34.13 62.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 74.54 110.848 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.67 ' HA ' HD12 ' A' ' 355' ' ' ILE . 14.2 mt -71.1 -47.24 59.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.936 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.19 -28.49 62.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.935 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -76.9 -36.81 56.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.847 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 352' ' ' LEU . 21.7 mt -65.29 -40.3 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 73.14 111.119 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -71.78 -38.33 70.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.44 110.87 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.39 64.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 63.02 111.081 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -54.62 -38.28 66.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 64.34 110.905 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.502 HG22 HD12 ' A' ' 363' ' ' LEU . 33.5 mt -75.14 -31.13 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.14 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -61.09 -52.84 63.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 71.35 110.896 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -72.93 -34.19 66.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 61.12 110.869 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.9 m -71.49 -10.66 60.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.827 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.502 HD12 HG22 ' A' ' 359' ' ' ILE . 31.5 mt -110.83 26.18 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 63.44 110.884 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.33 171.63 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.886 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 0.953 HD11 HG22 ' B' ' 403' ' ' ILE . 5.4 tp -84.51 -38.54 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 75.13 111.116 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -92.72 -32.62 14.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 72.25 110.853 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -106.24 36.05 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 65.54 110.894 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.482 HD13 ' CD1' ' B' ' 406' ' ' PHE . 18.3 tp -53.96 107.66 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 61.41 110.887 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.98 79.59 1.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.832 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.61 ' HB ' HD11 ' B' ' 412' ' ' ILE . 9.1 m -60.8 -27.49 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.32 111.149 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -51.87 -40.17 60.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.21 110.846 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -75.91 -34.86 59.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.907 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 25.5 t -53.23 -56.11 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 70.04 110.879 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.6 -49.78 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 55.44 111.144 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.72 -34.91 41.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 74.11 110.869 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.412 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.43 -51.68 12.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.24 111.138 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.517 HD11 HG23 ' B' ' 412' ' ' ILE . 8.8 mt -52.28 -41.36 62.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.873 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.89 -49.1 79.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 44.25 110.832 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -46.3 79.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 34.12 110.917 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.66 HD21 ' HE3' ' A' ' 396' ' ' MET . 0.9 OUTLIER -52.36 -54.26 34.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 52.31 110.912 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.485 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -57.17 -33.99 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 53.33 111.088 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.1 m -71.51 -36.87 71.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.863 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.429 HD22 HH11 ' A' ' 351' ' ' ARG . 60.9 mt -69.09 117.53 10.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 63.21 110.898 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.17 71.22 8.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.914 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -82.52 144.02 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 44.12 111.135 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -100.0 173.94 6.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 72.12 111.155 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 1.9 ttt -57.55 -39.39 76.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.23 110.915 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -52.0 -59.16 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 70.25 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -63.9 -35.68 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 70.44 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.29 92.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 73.34 111.065 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.67 -36.06 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.959 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -77.57 -34.35 53.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.91 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.415 ' CE1' HD12 ' A' ' 352' ' ' LEU . 79.7 m80 -95.12 35.66 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 70.14 110.866 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.689 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.8 OUTLIER -59.16 -35.32 73.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 63.35 111.176 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.99 -41.88 98.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.863 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.66 ' HE3' HD21 ' A' ' 380' ' ' LEU . 36.7 ttp -55.25 -37.32 67.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.856 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 394' ' ' THR . 4.4 mt -69.95 -44.1 78.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 64.34 111.149 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 95.6 m -54.09 -35.44 62.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.25 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.2 m -71.85 -38.56 70.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 64.32 111.118 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 397' ' ' ILE . 31.8 mt -57.92 -36.18 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 73.43 110.936 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.49 -28.82 56.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 75.05 110.892 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -75.13 -35.15 61.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.01 110.897 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 0.975 HG22 HD11 ' B' ' 365' ' ' ILE . 35.6 pt -73.71 -2.03 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 75.44 111.142 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -33.85 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 64.01 110.912 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . 0.444 HH21 HD23 ' B' ' 368' ' ' LEU . 0.0 OUTLIER -120.11 -19.53 7.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.893 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.499 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -40.1 120.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 75.04 110.884 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.4 135.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.878 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 408' ' ' VAL . 7.5 p -63.43 126.33 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 43.23 111.148 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 1.5 m -61.57 170.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.848 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -72.83 -33.88 66.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 74.23 110.906 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.2 p -53.02 -41.03 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 73.11 111.143 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.653 HD11 ' HB ' ' B' ' 370' ' ' VAL . 61.1 mt -73.82 -47.41 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.31 111.113 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 34.3 mtm -58.56 -34.66 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 65.12 110.878 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -42.5 58.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.903 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -68.35 -35.57 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.897 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 84.0 p -58.39 -49.66 76.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 71.33 110.923 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 95.0 m -53.67 -44.33 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 73.02 111.149 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.2 tpt -51.3 -49.31 61.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 71.21 110.893 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.462 HD22 HD12 ' B' ' 380' ' ' LEU . 56.1 mt -73.41 -38.48 65.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 71.2 110.951 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -53.76 -60.03 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.923 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -59.63 -34.73 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.838 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -53.22 -53.61 48.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.905 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.594 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 84.6 m-85 -73.88 -37.16 64.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 74.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . 0.521 ' HG2' HD23 ' A' ' 428' ' ' LEU . 1.2 ttpm? -57.73 -44.0 85.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 63.42 110.898 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.16 -37.02 76.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 44.24 110.923 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 16.4 mtm -78.59 -34.82 46.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.872 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.516 ' HE2' HG22 ' B' ' 394' ' ' THR . 3.8 m-85 -71.19 -36.08 71.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.863 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.796 HD22 ' HB3' ' A' ' 440' ' ' LEU . 3.9 pp -87.62 -35.39 18.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.926 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 97.0 t 58.54 84.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 70.12 111.141 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . 0.4 ' N ' HD12 ' A' ' 428' ' ' LEU . . . -155.05 -113.32 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 25.3 112.48 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.68 113.72 2.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 75.24 110.836 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 159.85 61.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 64.41 112.476 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -66.16 -39.24 89.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 72.32 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.59 90.3 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.869 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 21.6 m -147.93 151.12 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 45.03 111.132 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.0 pp -138.72 138.19 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 70.31 111.139 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 93.5 m 52.38 86.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 73.3 111.121 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.29 122.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.903 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 21.8 t -80.2 115.56 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 34.11 111.146 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.796 ' HB3' HD22 ' A' ' 428' ' ' LEU . 4.3 mm? -111.93 -35.9 5.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 61.0 110.937 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.87 164.52 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.897 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.07 -49.16 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 73.11 110.911 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.53 -46.12 34.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 75.3 110.898 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.34 -34.74 63.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 75.3 110.892 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -53.34 -57.04 11.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 72.32 111.116 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -56.39 -40.36 74.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 72.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -65.86 -35.78 81.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 64.54 110.916 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -35.72 67.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 53.15 110.93 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 453' ' ' ALA . 0.1 OUTLIER -51.88 -35.87 46.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 74.13 110.878 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.15 -50.0 57.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.818 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.87 -59.31 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 75.33 110.873 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.79 -36.32 47.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.84 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 449' ' ' GLN . . . -52.35 -41.5 63.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 74.2 111.064 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -67.5 -36.83 81.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.14 110.91 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.91 165.56 17.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.906 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.4 t -178.49 139.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 60.34 111.113 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -168.71 61.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 72.51 110.914 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.89 -55.2 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 75.11 110.845 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.98 172.4 7.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 44.03 110.864 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -103.64 -116.15 4.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 70.4 112.463 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt 53.08 68.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 74.2 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.15 -44.24 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 65.12 110.931 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 109.19 173.03 21.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 54.43 112.459 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 96.23 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 72.11 112.301 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 14.9 t30 61.27 89.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 63.41 110.889 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.31 -51.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.917 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 65.2 110.922 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.896 0.379 . . . . 74.43 110.831 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.36 107.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.921 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -59.1 110.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 50.42 111.118 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -109.89 66.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 75.44 111.095 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 65.2 m -133.56 -75.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 61.04 110.894 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.872 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 7.7 t -55.38 -36.94 66.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 65.14 111.081 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 30.1 t -51.61 -35.81 43.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 65.44 110.834 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -38.49 66.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.02 110.882 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.29 -38.27 65.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 75.42 110.848 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 32.3 t -66.82 -39.24 87.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 65.45 110.847 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -74.36 -34.49 63.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 64.45 110.841 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.723 ' HA ' HD12 ' B' ' 355' ' ' ILE . 20.4 mt -71.44 -47.79 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 63.21 110.897 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -57.98 -29.72 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 64.41 110.919 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -74.71 -37.54 62.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 71.42 110.833 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' B' ' 352' ' ' LEU . 14.2 mt -65.2 -39.15 84.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 75.43 111.111 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -70.82 -39.7 72.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.23 110.879 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.09 -41.48 67.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 75.04 111.056 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.25 -40.72 71.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.874 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.433 HG22 HD12 ' B' ' 363' ' ' LEU . 46.7 mt -73.54 -34.64 42.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 62.43 111.104 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -58.24 -52.16 66.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.886 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -74.04 -31.4 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 75.2 110.878 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 40.0 m -73.55 -13.64 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.847 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.433 HD12 HG22 ' B' ' 359' ' ' ILE . 40.0 mt -107.65 26.62 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 45.15 110.927 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 170.64 7.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.915 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 0.975 HD11 HG22 ' A' ' 403' ' ' ILE . 5.0 tp -84.5 -38.61 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.33 111.155 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -92.03 -33.65 14.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 64.14 110.893 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -106.11 36.47 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 65.1 110.898 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.444 HD23 HH21 ' A' ' 405' ' ' ARG . 18.2 tp -53.79 107.29 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.949 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.12 80.06 1.89 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.85 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.653 ' HB ' HD11 ' A' ' 412' ' ' ILE . 12.0 m -60.16 -27.17 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 64.02 111.175 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -51.64 -39.69 58.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.886 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -75.94 -35.2 59.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 64.21 110.823 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.47 -56.59 15.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 61.02 110.839 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.407 HD12 ' O ' ' B' ' 370' ' ' VAL . 3.2 mt -53.51 -49.13 56.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 64.33 111.124 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.65 -35.15 41.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 75.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.595 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.26 -50.98 12.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 73.15 111.106 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . 0.451 HD11 HG23 ' A' ' 412' ' ' ILE . 10.3 mt -52.1 -38.99 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 72.3 110.894 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.85 -47.53 84.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 54.03 110.84 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -47.38 78.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 62.51 110.884 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.594 HD11 ' HZ ' ' A' ' 423' ' ' PHE . 1.1 tm? -52.45 -54.71 28.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 72.31 110.949 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . 0.435 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -56.29 -34.62 66.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.153 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.1 m -72.47 -36.08 68.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 63.33 110.839 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.03 118.03 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 71.02 110.893 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.66 71.38 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 65.43 110.911 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -82.5 144.14 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 70.11 111.11 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -99.58 173.91 6.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 45.24 111.128 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 1.8 ttt -58.03 -39.71 79.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.915 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -51.97 -59.2 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.917 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -63.46 -35.7 81.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.895 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.36 -42.98 92.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 62.03 111.106 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -51.66 -35.66 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 71.43 110.91 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -77.62 -34.91 53.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 54.25 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -95.17 35.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 74.34 110.878 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.688 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.8 OUTLIER -59.16 -35.28 73.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 54.13 111.143 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.81 -41.37 97.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.916 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . 0.434 ' HB3' ' HE2' ' B' ' 396' ' ' MET . 34.7 ttp -55.37 -37.81 68.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 75.43 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' B' ' 394' ' ' THR . 4.3 mt -69.97 -42.58 79.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 71.44 111.16 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 95.9 m -54.12 -35.76 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 55.43 111.144 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 90.5 m -72.37 -40.27 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 71.54 111.167 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' B' ' 397' ' ' ILE . 46.3 mt -54.62 -37.69 65.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.927 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.03 -28.92 57.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 60.31 110.909 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -74.63 -35.93 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 72.14 110.881 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.953 HG22 HD11 ' A' ' 365' ' ' ILE . 34.8 pt -73.42 -1.69 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 52.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -34.19 45.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 71.35 110.875 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.07 -20.15 6.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 65.42 110.836 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.5 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.08 120.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 70.24 110.857 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -176.61 134.09 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 62.2 110.895 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.27 126.85 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 71.22 111.103 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 1.9 m -62.49 171.15 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.883 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -73.14 -33.2 65.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.919 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.83 -42.18 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.1 111.108 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.61 HD11 ' HB ' ' A' ' 370' ' ' VAL . 40.9 mt -73.75 -45.63 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.34 111.092 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 34.0 mtm -59.11 -34.4 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.879 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -42.29 54.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 74.42 110.868 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -68.11 -35.21 77.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.918 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.9 p -58.59 -50.77 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 61.13 110.825 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 94.6 m -52.73 -44.36 66.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 52.43 111.146 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -51.49 -48.6 62.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.877 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 381' ' ' ALA . 54.5 mt -74.29 -36.57 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 43.52 110.857 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -56.94 -58.0 10.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 75.05 110.913 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -62.32 -35.33 78.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.53 110.917 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -53.2 -53.31 52.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.912 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.523 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 21.8 m-85 -75.38 -35.85 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 54.34 110.89 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . 0.494 ' HG2' HD23 ' B' ' 428' ' ' LEU . 1.2 ttpm? -57.48 -43.85 84.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.856 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.39 -35.79 74.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 62.42 110.874 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 16.4 mtm -77.85 -35.2 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.904 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . 0.526 ' HE2' HG22 ' A' ' 394' ' ' THR . 3.6 m-85 -71.29 -35.95 71.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 71.21 110.916 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' B' ' 440' ' ' LEU . 3.9 pp -87.47 -34.99 18.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 72.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 98.6 t 58.13 84.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.148 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -155.38 -113.54 0.46 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.729 -0.748 . . . . 42.01 112.475 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.67 113.57 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 62.22 110.867 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 159.82 61.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 64.44 112.482 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -65.98 -39.31 90.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 74.12 110.864 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.53 90.37 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 63.33 110.867 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 21.8 m -147.85 151.0 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 65.41 111.113 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 2.0 pp -138.6 138.2 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 70.25 111.147 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 93.8 m 52.2 86.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.136 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.67 121.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 54.42 110.914 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 21.8 t -79.97 115.3 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 74.11 111.141 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . 0.803 ' HB3' HD22 ' B' ' 428' ' ' LEU . 4.3 mm? -111.66 -35.91 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 73.25 110.926 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.9 164.03 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.88 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.0 -48.14 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.933 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.42 -46.42 27.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 55.1 110.858 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -34.49 63.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.495 . . . . 73.22 110.952 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -53.4 -56.94 12.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.51 111.129 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -56.88 -40.46 76.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -65.63 -35.61 81.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 75.01 110.905 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -35.79 66.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 73.21 110.872 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' B' ' 453' ' ' ALA . 0.1 OUTLIER -51.67 -35.48 42.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.916 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -52.34 43.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 65.3 110.839 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.72 -57.59 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.909 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -36.42 47.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 65.55 110.897 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' B' ' 449' ' ' GLN . . . -53.83 -40.82 66.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 64.13 111.078 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -67.26 -37.05 82.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.864 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.67 165.49 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 72.25 110.927 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 2.5 t -178.51 139.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 63.12 111.207 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -168.77 61.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.908 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.0 -54.87 3.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.9 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.23 172.36 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 60.35 110.933 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -103.69 -116.23 4.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 71.53 112.463 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt 53.27 68.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 72.41 110.889 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.25 -44.41 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 72.34 110.86 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 109.3 173.01 20.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.689 -0.767 . . . . 65.23 112.476 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 96.35 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 74.05 112.33 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 15.0 t30 61.22 89.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.54 110.894 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 -51.11 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.888 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 61.23 110.882 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.928 0.394 . . . . 74.34 110.837 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -93.6 -174.84 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 73.04 110.871 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -173.0 -47.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 50.24 111.09 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . 63.63 -179.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 74.12 111.097 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.81 -57.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 73.0 110.85 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.92 179.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 71.32 110.884 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.22 168.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 73.11 111.163 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.5 p -69.45 -56.17 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 60.3 110.891 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.7 tpt -54.09 -41.22 68.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 71.15 110.87 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.04 -35.42 66.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.865 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 48.4 t -68.91 -39.21 79.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.854 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.77 -33.52 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.846 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.736 ' HA ' HD12 ' A' ' 355' ' ' ILE . 12.2 mt -71.37 -47.33 56.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.52 110.914 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.82 -27.64 60.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.959 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -76.77 -37.87 55.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.818 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 352' ' ' LEU . 30.9 mt -61.1 -42.98 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 73.14 111.128 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -72.11 -35.97 69.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.89 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.76 -48.31 64.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 63.02 111.109 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.06 -46.71 75.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 64.34 110.894 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.57 HG22 HD12 ' A' ' 363' ' ' LEU . 43.2 mt -62.02 -35.04 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.136 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -63.35 -46.1 88.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.889 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -75.7 -31.32 59.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 61.12 110.907 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 15.8 p -80.43 -1.11 40.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 73.51 110.883 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.57 HD12 HG22 ' A' ' 359' ' ' ILE . 31.0 mt -120.02 26.51 9.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 63.44 110.903 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -71.56 170.55 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.13 110.905 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 0.987 HD11 HG22 ' B' ' 403' ' ' ILE . 6.1 tp -83.65 -37.5 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 75.13 111.139 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -93.65 -29.87 15.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 72.25 110.858 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -110.9 36.7 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 65.54 110.922 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.487 HD13 ' CD1' ' B' ' 406' ' ' PHE . 20.5 tp -52.98 107.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 61.41 110.927 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.85 80.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.857 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' B' ' 412' ' ' ILE . 9.7 m -61.24 -27.1 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.121 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -51.82 -39.37 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.21 110.888 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -75.73 -35.27 60.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.925 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.472 ' SG ' HG23 ' A' ' 359' ' ' ILE . 12.2 t -53.89 -57.18 11.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 70.04 110.847 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.44 -50.44 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 55.44 111.142 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.63 -34.06 36.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.476 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.84 -51.26 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.24 111.109 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.46 HD11 HG23 ' B' ' 412' ' ' ILE . 11.4 mt -52.09 -40.19 60.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.929 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -49.06 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 44.25 110.884 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -46.02 85.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 34.12 110.901 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' B' ' 423' ' ' PHE . 1.2 tm? -52.32 -54.21 34.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 52.31 110.91 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.506 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -58.27 -34.49 70.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 53.33 111.11 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -36.44 70.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.853 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.06 117.15 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 63.21 110.909 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -79.03 64.32 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.929 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.89 141.24 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 44.12 111.135 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.0 t -100.96 171.32 7.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 72.12 111.153 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -38.14 64.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.879 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -52.21 -59.07 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 70.25 110.886 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -66.51 -35.87 81.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 70.44 110.918 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.22 82.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.34 111.144 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 394' ' ' THR . 1.3 mm100 -51.85 -37.65 52.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 75.25 110.89 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 2.4 mmpp? -75.22 -35.2 61.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -95.33 35.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 70.14 110.83 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.73 ' HA ' HD12 ' A' ' 397' ' ' ILE . 1.4 p -59.03 -36.11 74.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 63.35 111.159 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.08 -45.39 93.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 65.31 110.869 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.422 ' HE1' HD21 ' A' ' 380' ' ' LEU . 1.4 tmm? -55.38 -37.21 67.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.872 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.796 ' HA ' HD12 ' A' ' 400' ' ' LEU . 5.8 mt -70.07 -39.11 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 64.34 111.13 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 9.1 m -59.43 -40.14 85.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 71.25 111.125 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.0 m -65.39 -35.61 81.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 64.32 111.121 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' ' 397' ' ' ILE . 29.9 mt -58.7 -35.88 73.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.902 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -76.2 -28.65 57.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 75.05 110.898 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -75.2 -35.15 61.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 71.01 110.922 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.048 HG22 HD11 ' B' ' 365' ' ' ILE . 35.1 pt -73.93 -2.02 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.44 111.144 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -79.47 -33.5 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 64.01 110.896 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . 0.401 HH21 HD23 ' B' ' 368' ' ' LEU . 0.0 OUTLIER -120.62 -18.87 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 75.44 110.84 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.501 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.7 OUTLIER -40.64 121.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 75.04 110.871 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -177.56 134.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.914 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.19 131.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 43.23 111.092 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 32.1 t -67.31 168.06 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.889 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -70.18 -34.49 73.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . 0.412 HG13 HG13 ' A' ' 412' ' ' ILE . 5.3 p -53.44 -40.47 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.11 111.135 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.636 HD11 ' HB ' ' B' ' 370' ' ' VAL . 94.9 mt -73.71 -47.04 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 74.31 111.167 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 34.1 mtm -59.4 -34.53 72.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 65.12 110.908 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.69 -44.38 56.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.875 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -67.4 -37.7 83.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.852 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 86.1 p -56.39 -47.59 78.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 71.33 110.797 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . 0.509 HG22 ' ND2' ' A' ' 421' ' ' ASN . 95.4 m -55.36 -46.52 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 73.02 111.158 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -49.06 -47.92 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 71.21 110.903 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' B' ' 381' ' ' ALA . 45.7 mt -75.57 -34.69 60.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.884 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.618 ' CE1' HG11 ' A' ' 435' ' ' VAL . 18.9 t80 -56.34 -63.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.911 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.509 ' ND2' HG22 ' A' ' 417' ' ' THR . 10.2 p30 -63.9 -32.09 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.898 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -52.57 -53.64 43.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.91 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.587 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 19.9 m-85 -75.67 -35.99 60.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 74.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . 0.639 ' HD2' HD22 ' A' ' 444' ' ' LEU . 71.3 tttt -57.91 -39.36 77.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 63.42 110.889 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -61.45 -34.88 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 44.24 110.926 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 12.4 mtm -75.56 -35.35 60.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.852 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' B' ' 397' ' ' ILE . 41.1 m-85 -71.53 -36.98 71.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 65.35 110.851 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.547 ' O ' HD22 ' A' ' 440' ' ' LEU . 4.5 pp -84.66 -34.75 22.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.904 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.527 ' N ' HD12 ' A' ' 428' ' ' LEU . 98.0 t 57.69 90.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 70.12 111.149 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 169.67 -125.64 1.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 25.3 112.497 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.68 178.24 5.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 75.24 110.88 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 136.84 123.87 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.759 -0.734 . . . . 64.41 112.505 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -87.59 -62.18 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 72.32 110.858 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 80.2 p -111.14 -169.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 75.02 110.872 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.618 HG11 ' CE1' ' A' ' 420' ' ' TYR . 6.9 m -105.4 72.41 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 45.03 111.145 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 437' ' ' THR . 10.8 mt -149.11 44.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 70.31 111.14 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 436' ' ' ILE . 0.0 OUTLIER -178.55 123.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 73.3 111.114 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -75.86 110.52 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.887 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 21.7 t -135.95 112.81 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 34.11 111.148 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.547 HD22 ' O ' ' A' ' 428' ' ' LEU . 0.5 OUTLIER 51.85 35.92 16.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 61.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 445' ' ' ALA . 24.5 m-20 -121.79 124.79 45.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 64.43 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.92 -55.84 2.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 73.11 110.882 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 1.2 t -63.56 -54.7 31.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 75.3 110.855 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . 0.639 HD22 ' HD2' ' A' ' 424' ' ' LYS . 1.3 mp -67.47 -35.97 80.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 75.3 110.878 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 441' ' ' ASN . . . -51.7 -38.6 55.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 72.32 111.119 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -55.42 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 72.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -54.62 29.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 64.54 110.891 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -52.15 -40.59 61.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 53.15 110.927 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -55.86 21.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.92 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 2.1 t60 -58.75 -50.71 72.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 75.51 110.814 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.51 -58.58 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.889 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -36.25 74.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.903 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 450' ' ' HIS . . . -52.05 -36.47 50.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 74.2 111.116 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -95.65 -36.3 11.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.915 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -170.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.875 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 1.2 m 64.32 45.0 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 60.34 111.111 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -171.96 84.25 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 72.51 110.884 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -177.74 -36.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 75.11 110.911 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.0 -63.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 44.03 110.924 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 104.54 -124.62 8.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 70.4 112.484 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.82 -73.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 74.2 110.872 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -152.82 -48.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 65.12 110.914 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 155.86 -170.54 33.69 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 54.43 112.492 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -173.06 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.713 2.275 . . . . 72.11 112.368 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -136.47 -43.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 63.41 110.889 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 138.91 41.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.889 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 65.2 110.905 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.888 0.375 . . . . 74.43 110.913 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -93.53 -174.85 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.912 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -172.99 -47.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 50.42 111.129 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . 63.59 -179.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.092 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.7 -58.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 61.04 110.829 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.08 179.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 74.35 110.944 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.74 169.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 65.14 111.139 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 11.6 p -70.27 -57.7 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 65.44 110.905 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.9 tpt -53.17 -39.86 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.02 110.826 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.1 -37.05 66.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 75.42 110.897 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 48.4 t -67.87 -39.17 83.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 65.45 110.822 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -74.52 -34.18 62.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 64.45 110.855 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.809 ' HA ' HD12 ' B' ' 355' ' ' ILE . 12.1 mt -71.39 -47.73 54.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 63.21 110.903 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -57.22 -29.17 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 64.41 110.908 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -74.56 -38.62 62.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.42 110.841 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' B' ' 352' ' ' LEU . 17.7 mt -61.11 -42.74 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.43 111.107 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -70.56 -36.12 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.89 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.46 -46.98 65.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 75.04 111.116 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.25 -47.95 74.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.881 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.567 HG22 HD12 ' B' ' 363' ' ' LEU . 48.3 mt -61.28 -35.29 65.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 62.43 111.109 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -62.67 -46.52 87.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.887 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -75.84 -31.37 59.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.855 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 13.1 p -79.51 -2.21 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.822 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.567 HD12 HG22 ' B' ' 359' ' ' ILE . 34.4 mt -119.09 26.47 9.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 45.15 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.56 170.66 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.869 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.048 HD11 HG22 ' A' ' 403' ' ' ILE . 5.5 tp -84.25 -36.92 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.33 111.142 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -93.79 -31.02 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 64.14 110.874 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -110.14 36.82 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 65.1 110.876 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.433 HD13 ' CD2' ' A' ' 406' ' ' PHE . 20.5 tp -52.66 107.43 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.926 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.07 81.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.889 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' A' ' 412' ' ' ILE . 10.9 m -61.98 -26.55 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 64.02 111.162 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -51.79 -39.21 58.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 73.44 110.898 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -75.88 -35.35 59.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 64.21 110.865 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.474 ' SG ' HG23 ' B' ' 359' ' ' ILE . 14.5 t -53.7 -57.05 12.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 61.02 110.872 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.53 -49.58 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 64.33 111.158 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.48 -35.19 38.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.608 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.3 -50.62 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 73.15 111.098 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . 0.426 HD11 HG23 ' A' ' 412' ' ' ILE . 11.5 mt -52.16 -40.82 61.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 72.3 110.917 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -49.18 78.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 54.03 110.857 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -45.64 85.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 62.51 110.881 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.587 HD11 ' CZ ' ' A' ' 423' ' ' PHE . 1.4 tm? -52.64 -54.38 34.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.932 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . 0.488 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -58.02 -34.9 70.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.1 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -37.21 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 63.33 110.903 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 49.1 mt -65.81 118.21 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 71.02 110.918 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -80.48 63.57 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 65.43 110.908 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.9 p -76.44 140.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 70.11 111.109 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.4 t -100.36 171.67 7.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 45.24 111.118 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -38.03 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.871 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -52.17 -58.87 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -66.54 -35.96 81.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 74.12 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.7 -46.47 81.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 62.03 111.077 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . 0.504 ' O ' HG23 ' B' ' 394' ' ' THR . 1.3 mm100 -51.97 -36.15 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 71.43 110.959 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 2.5 mmpp? -75.44 -35.54 60.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 54.25 110.845 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -95.22 35.61 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.838 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.732 ' HA ' HD12 ' B' ' 397' ' ' ILE . 1.4 p -57.7 -35.65 70.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 54.13 111.145 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.76 -44.35 97.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.872 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . 0.463 ' HE1' HD21 ' B' ' 380' ' ' LEU . 1.5 tmm? -55.38 -37.66 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.88 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.808 ' HA ' HD12 ' B' ' 400' ' ' LEU . 5.6 mt -68.62 -42.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 71.44 111.153 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 8.5 m -58.65 -39.31 80.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 55.43 111.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 96.2 m -65.23 -34.93 79.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 71.54 111.11 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.808 HD12 ' HA ' ' B' ' 397' ' ' ILE . 18.8 mt -61.91 -35.26 77.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.922 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -75.9 -28.76 58.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 60.31 110.895 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -74.96 -35.95 62.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.88 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.987 HG22 HD11 ' A' ' 365' ' ' ILE . 34.0 pt -73.37 -1.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 52.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -78.82 -34.07 45.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 71.35 110.888 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -19.85 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 65.42 110.898 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.503 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.51 120.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 70.24 110.931 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -177.15 133.12 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 62.2 110.909 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.6 p -58.98 133.71 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 71.22 111.151 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.5 t -69.41 169.27 12.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 64.22 110.871 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -70.84 -34.57 71.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.891 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . 0.435 HG13 HG13 ' B' ' 412' ' ' ILE . 5.8 p -53.21 -40.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.154 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' A' ' 370' ' ' VAL . 89.3 mt -73.88 -46.27 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 71.34 111.12 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 33.8 mtm -59.69 -34.3 72.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 75.13 110.877 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.44 -43.37 56.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.922 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -67.97 -34.74 77.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.919 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.2 p -58.65 -50.23 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 61.13 110.874 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 42.8 m -53.52 -44.59 69.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 52.43 111.14 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.3 tpt -50.55 -49.09 56.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 381' ' ' ALA . 49.3 mt -74.39 -37.84 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 43.52 110.926 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -56.97 -57.23 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.903 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -63.89 -33.96 76.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 72.53 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -55.47 -53.83 51.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 71.45 110.907 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 65.8 m-85 -68.49 -44.23 75.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 54.34 110.875 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . 0.618 ' HD2' HD22 ' B' ' 444' ' ' LEU . 70.2 tttt -53.68 -40.79 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 71.03 110.948 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -59.65 -36.05 75.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 62.42 110.928 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 12.3 mtm -77.04 -34.96 57.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 74.43 110.879 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . 0.552 ' HE2' HD13 ' A' ' 397' ' ' ILE . 35.8 m-85 -72.09 -36.54 69.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 71.21 110.862 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.515 ' O ' HD22 ' B' ' 440' ' ' LEU . 4.4 pp -84.49 -35.04 23.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 72.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.514 ' N ' HD12 ' B' ' 428' ' ' LEU . 98.4 t 57.14 88.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 74.44 111.068 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 170.76 -124.84 1.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.719 . . . . 42.01 112.505 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.6 179.24 4.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 62.22 110.877 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 134.92 120.96 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 64.44 112.481 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -82.65 -62.77 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.31 . . . . 74.12 110.857 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 77.6 p -128.32 -173.22 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 63.33 110.835 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.761 HG23 HG13 ' B' ' 436' ' ' ILE . 17.3 m -66.93 -176.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 65.41 111.107 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.761 HG13 HG23 ' B' ' 435' ' ' VAL . 13.2 mt 68.67 57.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 70.25 111.12 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.491 HG23 ' O ' ' B' ' 436' ' ' ILE . 0.0 OUTLIER -178.23 87.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 73.13 111.141 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -62.87 108.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 54.42 110.944 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 437' ' ' THR . 21.3 t -140.35 111.6 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 74.11 111.154 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . 0.515 HD22 ' O ' ' B' ' 428' ' ' LEU . 0.5 OUTLIER 51.65 36.64 17.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 73.25 110.885 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -121.12 124.43 44.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 71.33 110.884 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.02 -56.4 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 74.34 110.927 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 1.2 t -63.24 -55.0 28.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 55.1 110.807 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . 0.618 HD22 ' HD2' ' B' ' 424' ' ' LYS . 1.4 mp -66.93 -36.01 81.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.915 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.72 -38.51 55.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 72.51 111.108 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -55.63 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 74.42 110.911 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.19 -54.51 29.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 75.01 110.892 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -52.22 -40.48 61.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 73.21 110.884 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -56.09 19.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.881 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' B' ' 453' ' ' ALA . 2.1 t60 -58.51 -51.18 70.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 65.3 110.846 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.15 -58.33 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.881 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -36.15 75.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 65.55 110.855 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' B' ' 450' ' ' HIS . . . -52.16 -36.26 51.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 64.13 111.096 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -95.88 -36.27 11.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.877 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -170.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 72.25 110.887 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 1.2 m 64.36 44.83 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 63.12 111.135 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -171.9 84.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.902 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -177.91 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.844 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.11 -63.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 60.35 110.924 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 104.65 -124.67 8.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 71.53 112.459 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.81 -73.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 72.41 110.921 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -152.9 -49.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.919 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 155.98 -170.45 33.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 65.23 112.512 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -172.8 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 74.05 112.369 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -136.52 -43.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.884 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.57 139.73 37.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 72.33 110.887 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 61.23 110.895 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.035 0 CA-C-O 120.91 0.386 . . . . 74.34 110.846 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -121.76 176.33 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.04 110.864 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -171.38 168.83 6.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 50.24 111.1 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -172.88 143.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 74.12 111.066 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 1.1 p -174.04 158.77 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 73.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.83 170.12 2.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 71.32 110.844 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.75 165.39 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 73.11 111.137 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -59.91 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 60.3 110.862 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.6 tpt -53.23 -38.6 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 71.15 110.862 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -73.77 -36.08 65.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.868 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 4.2 m -68.08 -36.32 79.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.867 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.479 HH11 HD22 ' A' ' 383' ' ' LEU . 8.2 ptp180 -77.43 -33.07 54.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 74.54 110.896 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 352' ' ' LEU . 20.8 mt -74.83 -40.97 60.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.907 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -62.85 -35.35 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.84 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -77.18 -34.87 56.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.864 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 25.3 mt -62.38 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.143 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -71.99 -39.67 69.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.863 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.76 -42.87 81.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 63.02 111.075 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.78 -36.13 64.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 64.34 110.904 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.478 HG22 HD12 ' A' ' 363' ' ' LEU . 35.1 mt -75.0 -31.66 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 73.32 111.165 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -52.91 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.903 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -72.8 -31.17 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 61.12 110.901 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 16.7 m -75.23 -6.28 48.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 73.51 110.914 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.478 HD12 HG22 ' A' ' 359' ' ' ILE . 43.1 mt -117.44 25.98 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 63.44 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 169.79 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.909 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 0.995 HD11 HG22 ' B' ' 403' ' ' ILE . 5.9 tp -84.51 -37.64 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 75.13 111.116 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -93.05 -31.79 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 72.25 110.854 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -110.53 36.75 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 65.54 110.894 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.649 HD13 ' CE1' ' B' ' 406' ' ' PHE . 19.4 tp -53.13 106.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 61.41 110.919 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -126.51 70.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.15 110.821 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.666 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.7 m -54.34 -28.76 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.141 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -51.59 -43.81 62.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.87 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -76.07 -31.67 58.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.861 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.433 ' SG ' HG23 ' A' ' 359' ' ' ILE . 48.6 t -52.99 -45.9 68.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 70.04 110.904 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -66.11 -45.73 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 55.44 111.111 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.33 -33.49 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.906 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.79 -53.87 7.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 74.24 111.054 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.98 -35.66 47.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 72.3 110.893 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.63 -49.0 76.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 44.25 110.858 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -58.73 -45.99 88.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 34.12 110.891 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.568 HD21 ' HE3' ' A' ' 396' ' ' MET . 1.2 tm? -52.44 -49.56 64.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 52.31 110.9 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -60.27 -34.15 73.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 53.33 111.121 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.91 -36.78 67.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.816 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.479 HD22 HH11 ' A' ' 351' ' ' ARG . 62.7 mt -67.4 119.96 13.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 63.21 110.916 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -77.6 60.38 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 74.02 110.92 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.79 137.05 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 44.12 111.12 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.1 t -102.65 170.14 8.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 72.12 111.166 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -35.97 47.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.911 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -59.29 4.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 70.25 110.916 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -35.82 82.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 70.44 110.873 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.3 -48.24 82.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.34 111.11 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . 0.59 ' O ' HG23 ' A' ' 394' ' ' THR . 4.0 mt-30 -51.78 -35.9 45.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 75.25 110.919 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -81.73 -35.11 30.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 71.12 110.903 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -95.31 35.54 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 70.14 110.833 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 391' ' ' GLN . 17.1 p -59.44 -35.53 74.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 63.35 111.193 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.6 -47.5 76.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 65.31 110.913 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.568 ' HE3' HD21 ' A' ' 380' ' ' LEU . 47.0 ttp -55.36 -37.62 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.928 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.737 ' HA ' HD12 ' A' ' 400' ' ' LEU . 53.6 mt -68.74 -43.18 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 64.34 111.095 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 41.0 m -54.36 -36.73 64.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.25 111.145 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -70.5 -40.75 73.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 64.32 111.175 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 397' ' ' ILE . 10.9 mt -53.68 -36.82 62.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.918 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -28.91 57.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 75.05 110.896 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -75.66 -35.62 60.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.01 110.902 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.023 HG22 HD11 ' B' ' 365' ' ' ILE . 39.4 pt -73.66 -0.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.134 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -33.12 37.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.885 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -20.44 6.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.884 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.67 120.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.04 110.878 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -179.68 138.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.489 HG13 ' HE2' ' B' ' 406' ' ' PHE . 6.7 m -63.84 136.26 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 43.23 111.121 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 9.8 t -70.25 173.64 6.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.826 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -35.46 74.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 74.23 110.888 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 10.6 p -61.43 -29.6 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.11 111.112 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.77 HD11 ' HB ' ' B' ' 370' ' ' VAL . 78.2 mt -74.15 -51.47 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.149 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.1 ptp -66.28 -45.49 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 65.12 110.898 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.5 -33.33 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 73.25 110.895 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -76.91 -40.72 46.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.887 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . 0.445 ' HB2' HD11 ' B' ' 403' ' ' ILE . 54.5 p -56.5 -49.13 75.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.851 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 84.8 m -52.6 -34.24 49.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 73.02 111.165 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -48.95 79.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.859 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 51.0 mt -74.56 -36.38 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 71.2 110.91 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -66.13 -37.82 86.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.928 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -73.6 -34.97 65.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 73.14 110.878 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -70.09 -39.28 75.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.854 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.412 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 16.4 m-85 -75.38 -51.87 12.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -53.89 -32.28 52.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 63.42 110.924 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -68.07 -35.53 78.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 44.24 110.886 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 26.8 mtm -76.02 -34.62 59.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.937 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.474 ' CZ ' HG22 ' B' ' 394' ' ' THR . 12.9 m-85 -71.19 -37.1 72.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 65.35 110.821 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.4 pp -85.55 -34.78 21.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.949 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.52 ' N ' HD12 ' A' ' 428' ' ' LEU . 99.5 t 58.17 89.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 70.12 111.115 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -130.66 -84.43 0.32 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.741 -0.742 . . . . 25.3 112.537 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.76 143.84 23.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 75.24 110.913 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 91.33 169.33 41.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.8 -0.714 . . . . 64.41 112.503 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.86 -44.4 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 72.32 110.866 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 1.4 t -149.04 141.69 24.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 75.02 110.854 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 33.0 m -147.17 -177.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 45.03 111.089 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.463 HD12 ' OG1' ' A' ' 437' ' ' THR . 1.3 pp -138.12 153.93 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 70.31 111.157 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.463 ' OG1' HD12 ' A' ' 436' ' ' ILE . 1.6 m 53.73 82.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 73.3 111.177 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.25 153.2 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.911 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.601 HG21 ' NH2' ' A' ' 448' ' ' ARG . 6.6 m -139.33 119.82 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 34.11 111.122 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.58 133.6 8.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 61.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . 0.45 ' ND2' HD12 ' A' ' 444' ' ' LEU . 1.0 OUTLIER -177.54 177.38 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 64.43 110.914 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -116.02 -67.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.869 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 33.1 p -62.22 -53.3 57.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 75.3 110.817 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . 0.45 HD12 ' ND2' ' A' ' 441' ' ' ASN . 58.7 mt -66.51 -35.95 81.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 75.3 110.936 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.9 44.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 72.32 111.071 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.34 -60.73 3.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 72.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -68.29 -36.22 79.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 64.54 110.937 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.601 ' NH2' HG21 ' A' ' 439' ' ' VAL . 2.9 ttt180 -52.27 -61.59 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 53.15 110.903 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -52.2 -36.17 51.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.895 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -59.04 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 75.51 110.897 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -67.51 -50.0 60.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -36.26 50.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.08 -35.89 49.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.2 111.08 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -59.76 -44.53 93.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 74.14 110.874 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt 54.66 90.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.918 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.1 t -138.83 149.04 44.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 60.34 111.146 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.29 97.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 72.51 110.897 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.08 179.95 4.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 75.11 110.905 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -109.76 -73.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 44.03 110.894 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 59.2 89.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 70.4 112.528 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -136.03 -71.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 74.2 110.865 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.98 169.47 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 65.12 110.891 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 92.51 -176.42 38.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 54.43 112.478 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 105.4 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.273 . . . . 72.11 112.36 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -58.52 -43.18 89.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 63.41 110.901 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.52 148.01 13.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.886 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 65.2 110.884 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.934 0.397 . . . . 74.43 110.849 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -121.71 176.32 5.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 74.02 110.892 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -171.33 168.86 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 50.42 111.12 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -172.86 143.08 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 75.44 111.122 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 1.1 p -174.11 158.71 3.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 61.04 110.865 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.9 170.03 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.871 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.64 165.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 65.14 111.128 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -60.33 2.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.865 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.6 tpt -53.12 -38.37 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 74.02 110.904 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.29 -35.8 66.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.855 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 4.1 m -68.96 -38.2 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 65.45 110.844 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.79 -36.02 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 64.45 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.61 ' HA ' HD12 ' B' ' 355' ' ' ILE . 27.8 mt -71.47 -47.76 53.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.942 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -57.35 -31.07 65.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.895 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -76.66 -38.5 54.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 71.42 110.888 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.619 HG23 ' HB1' ' B' ' 376' ' ' ALA . 18.0 mt -62.52 -39.28 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.106 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -71.89 -43.55 65.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.843 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.36 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 75.04 111.095 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -54.96 -36.38 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.45 110.884 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.608 HG22 HD12 ' B' ' 363' ' ' LEU . 38.4 mt -72.73 -34.57 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 62.43 111.129 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -60.9 -51.11 70.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.9 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -71.31 -31.0 66.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 75.2 110.884 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 66.6 m -79.86 -2.01 41.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.855 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.608 HD12 HG22 ' B' ' 359' ' ' ILE . 25.8 mt -120.39 26.23 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 45.15 110.882 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -71.06 170.34 13.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.88 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.023 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.02 -38.4 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.076 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -93.22 -31.1 14.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 64.14 110.891 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -110.5 36.42 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 19.9 tp -53.18 107.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 73.24 110.903 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -125.45 67.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.895 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.77 ' HB ' HD11 ' A' ' 412' ' ' ILE . 16.1 m -51.75 -30.72 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 64.02 111.128 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -52.15 -42.07 63.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.906 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -75.77 -32.89 60.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 64.21 110.891 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.448 ' SG ' HG23 ' B' ' 359' ' ' ILE . 45.3 t -53.08 -48.84 67.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 61.02 110.838 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -63.05 -44.83 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 64.33 111.143 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.33 -34.79 35.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 75.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.619 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.74 -51.49 11.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.15 111.108 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 16.7 mt -52.2 -35.44 49.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 72.3 110.933 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.38 -49.14 72.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 54.03 110.859 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -57.11 -47.05 82.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 62.51 110.864 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.572 HD21 ' HE3' ' B' ' 396' ' ' MET . 1.0 OUTLIER -52.38 -52.2 54.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 72.31 110.948 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.69 -34.35 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 71.22 111.125 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.99 -37.13 67.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 63.33 110.88 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 67.5 mt -67.78 119.86 13.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 71.02 110.918 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -77.51 60.7 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 65.43 110.863 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.92 137.56 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 70.11 111.122 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 13.2 t -103.05 170.04 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 45.24 111.15 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -36.05 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.888 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -59.16 5.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.896 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -36.09 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.12 110.927 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.52 -48.5 81.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 62.03 111.081 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . 0.592 ' O ' HG23 ' B' ' 394' ' ' THR . 4.1 mt-30 -51.88 -36.07 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 71.43 110.92 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -81.19 -35.55 31.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 54.25 110.903 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -95.28 35.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.857 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.592 HG23 ' O ' ' B' ' 391' ' ' GLN . 16.5 p -59.42 -35.26 73.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 54.13 111.106 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.54 -47.28 76.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 74.34 110.864 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . 0.572 ' HE3' HD21 ' B' ' 380' ' ' LEU . 44.8 ttp -55.33 -39.95 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.844 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.74 ' HA ' HD12 ' B' ' 400' ' ' LEU . 54.2 mt -66.29 -43.5 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.142 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 43.9 m -54.13 -36.89 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 55.43 111.14 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -70.52 -40.07 73.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 71.54 111.138 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' B' ' 397' ' ' ILE . 11.0 mt -54.19 -37.35 64.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.876 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.27 -28.55 57.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 60.31 110.943 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -75.69 -34.16 60.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.925 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.995 HG22 HD11 ' A' ' 365' ' ' ILE . 36.3 pt -75.31 -1.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 52.0 111.09 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -34.1 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 71.35 110.858 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.0 -17.23 9.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 65.42 110.862 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.649 ' CE1' HD13 ' A' ' 368' ' ' LEU . 5.6 t80 -43.07 115.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 70.24 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -174.2 137.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 62.2 110.864 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.419 HG22 ' O ' ' B' ' 409' ' ' SER . 2.5 p -59.25 137.93 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 71.22 111.155 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . 0.419 ' O ' HG22 ' B' ' 408' ' ' VAL . 9.8 t -71.97 179.98 3.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 64.22 110.832 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . 0.4 ' HA ' ' HG2' ' B' ' 413' ' ' MET . 0.0 OUTLIER -80.12 -39.6 29.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.928 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.47 -29.3 44.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.1 111.137 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.666 HD11 ' HB ' ' A' ' 370' ' ' VAL . 85.9 mt -75.02 -54.04 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 71.34 111.08 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' B' ' 410' ' ' GLN . 22.1 ptp -62.02 -44.37 96.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.859 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -63.32 -32.75 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.895 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -76.64 -39.54 52.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.915 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.417 ' HB2' HD11 ' A' ' 403' ' ' ILE . 60.3 p -57.85 -47.88 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 61.13 110.874 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 87.7 m -53.39 -34.35 57.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 52.43 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -48.05 82.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.86 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.54 -36.15 63.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 43.52 110.872 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -67.14 -37.6 84.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -73.49 -35.18 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.53 110.923 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -69.95 -39.26 76.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 71.45 110.896 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 16.6 m-85 -75.29 -51.71 12.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 54.34 110.909 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -54.23 -32.38 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 71.03 110.951 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -68.02 -35.39 78.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 62.42 110.868 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 26.6 mtm -75.99 -34.72 59.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.869 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . 0.477 ' CZ ' HG22 ' A' ' 394' ' ' THR . 13.1 m-85 -71.23 -37.12 72.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 71.21 110.84 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.512 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.4 pp -85.4 -34.76 21.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 72.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.512 ' N ' HD12 ' B' ' 428' ' ' LEU . 99.4 t 58.14 90.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.44 111.156 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -131.33 -84.45 0.3 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 42.01 112.464 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -152.87 143.71 22.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 62.22 110.885 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 91.36 169.39 41.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 64.44 112.511 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.89 -44.25 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 74.12 110.856 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 1.4 t -149.23 141.73 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 63.33 110.876 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 33.0 m -147.17 -177.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 65.41 111.166 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.464 HD12 ' OG1' ' B' ' 437' ' ' THR . 1.3 pp -138.05 154.07 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 70.25 111.127 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.464 ' OG1' HD12 ' B' ' 436' ' ' ILE . 1.6 m 53.53 82.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 73.13 111.14 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.12 152.99 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 54.42 110.918 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . 0.602 HG21 ' NH2' ' B' ' 448' ' ' ARG . 6.6 m -139.06 119.45 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.11 111.132 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.13 133.37 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 73.25 110.885 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . 0.456 ' ND2' HD12 ' B' ' 444' ' ' LEU . 1.0 OUTLIER -177.32 177.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.909 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -116.03 -67.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.884 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 33.2 p -62.22 -53.22 58.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 55.1 110.834 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . 0.456 HD12 ' ND2' ' B' ' 441' ' ' ASN . 58.4 mt -66.57 -35.99 81.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.925 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.8 44.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 72.51 111.1 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.38 -60.75 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 74.42 110.859 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -68.33 -36.14 78.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 75.01 110.947 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . 0.602 ' NH2' HG21 ' B' ' 439' ' ' VAL . 2.9 ttt180 -52.19 -61.89 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 73.21 110.875 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -52.05 -36.15 49.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.884 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -59.15 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 65.3 110.897 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -67.56 -49.98 60.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.876 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -36.32 49.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 65.55 110.891 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.12 -35.91 49.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 64.13 111.085 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -59.55 -44.85 93.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.895 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt 54.89 90.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.892 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 4.1 t -138.8 149.17 44.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 63.12 111.12 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 60.07 97.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 73.2 110.847 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.96 179.87 4.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.871 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -109.66 -73.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 60.35 110.928 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 59.09 89.06 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.74 -0.743 . . . . 71.53 112.513 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -136.01 -71.76 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 72.41 110.92 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.99 169.55 9.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.931 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 92.48 -176.43 38.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 65.23 112.499 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 105.24 1.45 Allowed 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.711 2.274 . . . . 74.05 112.397 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -58.4 -43.14 88.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 71.54 110.868 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.77 147.96 13.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 72.33 110.9 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 61.23 110.882 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.863 0.363 . . . . 74.34 110.826 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -178.76 174.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 73.04 110.923 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -127.87 58.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 50.24 111.066 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -175.97 -169.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.12 111.086 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 66.8 m -53.35 102.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 73.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.32 -170.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 71.32 110.874 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -35.46 41.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 73.11 111.169 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 51.1 m -51.93 -39.51 59.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 60.3 110.866 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -39.9 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 71.15 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -73.3 -35.9 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.866 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -38.73 76.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 64.41 110.912 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -75.66 -34.91 60.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 74.54 110.892 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.691 ' HA ' HD12 ' A' ' 355' ' ' ILE . 11.1 mt -71.78 -47.67 51.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.94 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -57.67 -30.46 65.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 72.33 110.873 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -73.18 -40.28 64.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.897 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 352' ' ' LEU . 19.8 mt -60.62 -41.82 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.164 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -71.98 -39.53 69.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 71.44 110.82 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.83 -45.27 78.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 63.02 111.123 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -55.12 -53.8 51.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 64.34 110.851 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.483 HG22 HD12 ' A' ' 363' ' ' LEU . 51.9 mt -55.09 -35.61 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.15 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -58.65 -51.9 67.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.35 110.856 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -72.97 -32.85 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 61.12 110.915 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 8.2 m -74.05 -7.67 53.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.51 110.828 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.483 HD12 HG22 ' A' ' 359' ' ' ILE . 43.5 mt -115.21 26.22 10.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 63.44 110.927 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 170.58 10.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 0.982 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.43 -37.82 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 75.13 111.111 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -92.7 -31.53 15.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.887 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.51 36.36 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 65.54 110.883 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.493 HD13 ' CD2' ' B' ' 406' ' ' PHE . 19.5 tp -53.48 107.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 61.41 110.911 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -131.46 81.84 2.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.857 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.556 ' HB ' HD11 ' B' ' 412' ' ' ILE . 8.9 m -60.92 -26.96 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.073 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -51.93 -39.91 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.89 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -75.76 -34.69 60.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.854 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.462 ' SG ' HG23 ' A' ' 359' ' ' ILE . 7.9 t -53.37 -59.56 4.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 70.04 110.872 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.33 -48.73 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 55.44 111.119 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.88 -35.24 44.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.49 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.82 -53.51 7.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.128 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.694 HD22 HD12 ' B' ' 419' ' ' LEU . 85.4 mt -52.2 -35.49 49.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.897 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.6 -48.9 79.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 44.25 110.901 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -43.55 98.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 34.12 110.883 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.725 HD21 ' HE3' ' A' ' 396' ' ' MET . 2.6 tm? -55.85 -37.11 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 52.31 110.953 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.51 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -73.55 -35.08 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 53.33 111.116 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -36.41 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 74.33 110.821 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 73.5 mt -58.99 131.11 50.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 63.21 110.913 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -89.6 55.35 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.02 110.917 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.98 137.64 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 44.12 111.111 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -102.74 171.85 7.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 72.12 111.145 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -40.65 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.897 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.17 -59.26 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 70.25 110.865 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.43 -36.56 81.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 70.44 110.921 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.37 -48.98 77.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 73.34 111.09 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -51.93 -37.91 54.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.918 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.4 -35.4 61.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.912 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -95.26 35.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 70.14 110.84 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.515 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.1 OUTLIER -62.79 -38.23 89.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 63.35 111.14 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.44 -48.97 73.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 65.31 110.883 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.725 ' HE3' HD21 ' A' ' 380' ' ' LEU . 53.8 ttp -55.35 -35.65 65.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.852 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.804 ' HA ' HD12 ' A' ' 400' ' ' LEU . 60.8 mt -68.47 -36.64 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 64.34 111.151 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 16.7 m -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 71.25 111.128 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.2 m -64.55 -35.63 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 64.32 111.124 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 397' ' ' ILE . 21.5 mt -57.56 -35.22 70.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.918 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -76.25 -29.2 57.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 75.05 110.889 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -74.8 -35.62 62.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 71.01 110.909 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.025 HG22 HD11 ' B' ' 365' ' ' ILE . 35.9 pt -73.23 -1.55 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.44 111.098 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -34.45 42.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.01 110.85 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.63 -18.71 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.49 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.6 OUTLIER -40.13 117.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.879 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -174.28 135.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.891 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.414 HG22 ' HB ' ' A' ' 412' ' ' ILE . 10.7 p -61.86 133.49 27.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 43.23 111.179 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 37.9 t -68.94 167.57 15.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.888 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -69.55 -35.16 75.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . 0.424 HG13 HG13 ' A' ' 412' ' ' ILE . 5.6 p -53.36 -40.28 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 73.11 111.112 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.594 HD11 ' HB ' ' B' ' 370' ' ' VAL . 94.0 mt -73.56 -45.55 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.31 111.131 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.01 -33.25 72.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 65.12 110.88 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.31 -53.32 14.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.895 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -60.28 -41.22 92.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.887 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 94.1 p -54.95 -41.95 71.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.867 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 34.6 m -59.5 -57.75 11.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 73.02 111.14 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 8.5 ttp -49.5 -38.26 29.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 71.21 110.85 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.608 HD12 HD22 ' B' ' 377' ' ' LEU . 61.9 mt -75.23 -35.57 61.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 71.2 110.85 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -61.69 -62.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 74.23 110.942 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -59.54 -33.39 71.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -52.56 -46.34 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.885 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.594 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 60.0 m-85 -75.51 -46.41 32.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 74.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . 0.747 ' HG2' HD23 ' A' ' 428' ' ' LEU . 11.4 tttm -52.96 -36.84 60.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 63.42 110.909 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -60.81 -35.41 76.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 44.24 110.944 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 23.3 mtm -76.81 -35.35 57.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.886 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -73.25 -36.35 66.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 65.35 110.874 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.747 HD23 ' HG2' ' A' ' 424' ' ' LYS . 4.2 pp -85.17 -35.22 21.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.919 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.467 ' N ' HD12 ' A' ' 428' ' ' LEU . 93.5 t 56.5 90.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 70.12 111.193 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 168.61 -81.34 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 25.3 112.493 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -178.65 171.05 1.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 75.24 110.895 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 140.62 142.51 4.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 64.41 112.481 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -179.18 173.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 72.32 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 13.9 t 59.77 174.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 75.02 110.853 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.67 127.22 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 45.03 111.158 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 59.8 mt -124.86 -35.97 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 70.31 111.147 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.9 m 64.44 42.54 5.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 73.3 111.202 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.64 -168.07 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 73.44 110.937 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 40.3 t -49.33 113.89 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 34.11 111.111 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 49.7 mt -103.57 -68.36 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 61.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . 0.469 ' C ' ' HB2' ' A' ' 445' ' ' ALA . 28.5 m-20 -88.02 178.36 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 64.43 110.877 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -116.38 -68.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 73.11 110.888 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 6.3 t -72.74 -55.38 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 75.3 110.858 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -33.64 76.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.96 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.469 ' HB2' ' C ' ' A' ' 441' ' ' ASN . . . -50.61 -34.28 25.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 72.32 111.128 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -54.96 -57.42 11.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 72.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -74.3 -47.88 31.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 64.54 110.91 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.92 -34.7 42.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 53.15 110.842 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 453' ' ' ALA . 47.5 tt0 -50.74 -35.65 32.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.883 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -35.52 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.51 110.925 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -59.3 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 75.33 110.899 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.79 -35.94 73.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.897 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 449' ' ' GLN . . . -51.55 -35.6 41.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.2 111.053 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -80.79 -43.39 20.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 74.14 110.867 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.11 119.21 25.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.923 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 27.8 p -110.47 163.79 13.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 60.34 111.183 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.64 -50.22 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 72.51 110.906 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 48.63 85.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.847 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.84 111.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 44.03 110.926 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -137.8 -56.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 70.4 112.449 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.48 157.53 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 74.2 110.924 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -179.47 138.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 65.12 110.912 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 58.99 77.32 0.18 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 54.43 112.519 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 102.42 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.722 2.281 . . . . 72.11 112.339 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -56.0 177.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 63.41 110.869 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -158.49 -173.17 4.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.861 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 1.4 tptp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 65.2 110.895 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.853 0.359 . . . . 74.43 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -178.69 173.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 74.02 110.914 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -127.76 58.17 1.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 50.42 111.133 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -175.89 -169.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 75.44 111.113 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 66.7 m -53.25 102.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 61.04 110.826 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.09 -170.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 74.35 110.876 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.28 -35.49 50.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 65.14 111.144 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 50.2 m -51.95 -40.21 60.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 65.44 110.853 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.57 -39.05 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 74.02 110.876 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -73.15 -37.01 66.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.889 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -39.33 80.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 65.45 110.839 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.87 -36.35 62.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 64.45 110.861 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.705 ' HA ' HD12 ' B' ' 355' ' ' ILE . 11.8 mt -71.57 -48.05 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 63.21 110.945 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -58.4 -32.64 68.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 64.41 110.896 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -70.3 -40.15 74.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 71.42 110.902 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' B' ' 352' ' ' LEU . 14.8 mt -61.81 -41.87 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.43 111.142 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -69.72 -38.68 76.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.841 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.69 -43.94 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 75.04 111.14 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -55.39 -54.09 48.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.45 110.893 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.468 HG22 HD12 ' B' ' 363' ' ' LEU . 54.3 mt -54.82 -35.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 62.43 111.127 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -58.32 -51.91 67.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 74.3 110.923 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -73.15 -32.59 64.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.88 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.2 m -74.12 -7.59 53.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.861 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.468 HD12 HG22 ' B' ' 359' ' ' ILE . 46.0 mt -115.49 26.22 10.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 45.15 110.901 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 170.7 9.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.917 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.025 HD11 HG22 ' A' ' 403' ' ' ILE . 5.4 tp -84.43 -37.84 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.134 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -92.86 -31.81 14.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 64.14 110.882 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -109.2 36.44 2.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 65.1 110.876 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 406' ' ' PHE . 19.3 tp -53.42 107.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.922 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -131.69 81.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 74.12 110.867 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.594 ' HB ' HD11 ' A' ' 412' ' ' ILE . 9.4 m -61.08 -26.72 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.02 111.117 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -51.81 -39.95 59.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.873 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -75.86 -34.57 60.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 64.21 110.889 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.449 ' SG ' HG23 ' B' ' 359' ' ' ILE . 10.8 t -53.45 -58.87 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 61.02 110.897 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.5 -48.11 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 64.33 111.103 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -51.77 -35.59 44.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.628 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.78 -52.89 8.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.15 111.129 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . 0.608 HD22 HD12 ' A' ' 419' ' ' LEU . 79.4 mt -52.21 -35.7 50.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 72.3 110.916 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.27 -49.04 78.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 54.03 110.872 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -42.88 99.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 62.51 110.896 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.701 HD21 ' HE3' ' B' ' 396' ' ' MET . 2.4 tm? -56.01 -40.49 73.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.899 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . 0.524 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -70.65 -35.09 72.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 71.22 111.057 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -37.08 67.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 63.33 110.856 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.54 131.18 50.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 71.02 110.875 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -90.02 55.57 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 65.43 110.925 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.95 137.46 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 70.11 111.149 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -101.97 172.47 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 45.24 111.164 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -40.46 63.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.859 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.43 -58.57 6.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.945 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.81 -36.29 80.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.891 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.71 -48.8 78.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 62.03 111.099 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -51.97 -36.89 51.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 71.43 110.959 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -35.77 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 54.25 110.883 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -95.36 35.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.874 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.578 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.1 OUTLIER -62.35 -37.78 86.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 54.13 111.156 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.43 -48.2 74.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.891 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . 0.701 ' HE3' HD21 ' B' ' 380' ' ' LEU . 53.9 ttp -55.6 -36.8 67.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 75.43 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' B' ' 400' ' ' LEU . 55.5 mt -66.54 -37.62 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 71.44 111.135 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 16.9 m -61.68 -39.73 92.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 55.43 111.151 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.0 m -64.42 -35.18 80.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 71.54 111.15 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' B' ' 397' ' ' ILE . 23.0 mt -58.28 -36.38 73.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 75.11 110.923 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -75.57 -29.07 59.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 60.31 110.916 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -74.27 -36.31 63.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.879 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.982 HG22 HD11 ' A' ' 365' ' ' ILE . 32.6 pt -73.46 -1.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 52.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -34.32 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 71.35 110.873 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.24 -18.82 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 65.42 110.868 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.503 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.86 118.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.896 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -174.79 134.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 62.2 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.11 134.3 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 71.22 111.126 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 37.2 t -69.73 168.22 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.858 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -70.1 -35.04 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 73.33 110.9 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . 0.432 HG13 HG13 ' B' ' 412' ' ' ILE . 5.8 p -53.2 -40.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 73.1 111.133 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.556 HD11 ' HB ' ' A' ' 370' ' ' VAL . 86.9 mt -73.87 -45.07 50.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 71.34 111.149 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.9 mtm -61.12 -32.52 72.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.888 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.91 -53.47 13.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.914 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -59.97 -39.42 85.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.408 ' HB2' HD11 ' A' ' 403' ' ' ILE . 77.1 p -55.15 -46.62 75.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 61.13 110.845 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 37.7 m -56.68 -57.23 13.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 52.43 111.112 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 8.4 ttp -50.28 -35.7 28.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.866 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.694 HD12 HD22 ' A' ' 377' ' ' LEU . 50.3 mt -74.7 -46.44 37.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 43.52 110.922 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -59.65 -55.14 38.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.921 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -57.62 -35.14 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.92 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -57.99 -51.07 71.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.906 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.582 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 56.4 m-85 -66.39 -46.8 75.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 54.34 110.907 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . 0.687 ' HG2' HD23 ' B' ' 428' ' ' LEU . 9.2 tttm -53.22 -35.72 60.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 71.03 110.876 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.65 -35.53 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 62.42 110.893 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 23.3 mtm -76.53 -35.11 58.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.868 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -73.18 -37.07 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 71.21 110.898 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.687 HD23 ' HG2' ' B' ' 424' ' ' LYS . 4.2 pp -84.39 -35.33 23.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 72.0 110.951 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.466 ' N ' HD12 ' B' ' 428' ' ' LEU . 94.5 t 56.6 89.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.44 111.116 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 168.3 -81.02 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 42.01 112.464 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -177.4 171.37 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 62.22 110.865 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 140.75 142.21 4.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 64.44 112.512 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -178.76 175.34 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 74.12 110.823 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 13.4 t 59.67 179.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 63.33 110.851 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 6.7 p -75.09 126.37 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 65.41 111.132 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 60.3 mt -120.18 -36.99 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 70.25 111.121 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 1.9 m 64.36 35.32 9.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 73.13 111.141 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.46 132.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 54.42 110.946 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 14.6 t 59.83 101.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.138 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . 0.502 HD12 HH22 ' B' ' 448' ' ' ARG . 43.3 mt -126.29 -74.82 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.963 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . 0.481 ' C ' ' HB2' ' B' ' 445' ' ' ALA . 27.8 m-20 -99.17 179.57 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.882 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -116.32 -68.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.854 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 6.3 t -73.37 -55.19 6.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 55.1 110.867 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -32.82 74.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.903 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . 0.481 ' HB2' ' C ' ' B' ' 441' ' ' ASN . . . -50.49 -33.38 21.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 72.51 111.142 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -54.81 -59.92 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.868 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.42 -45.49 54.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 75.01 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . 0.502 HH22 HD12 ' B' ' 440' ' ' LEU . 1.6 tmm_? -51.92 -36.11 47.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.838 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' B' ' 453' ' ' ALA . 47.2 tt0 -51.54 -35.73 41.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.908 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.16 -35.83 64.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 65.3 110.823 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -59.24 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.43 110.87 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.02 -35.43 73.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 65.55 110.892 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' B' ' 449' ' ' GLN . . . -51.63 -36.03 44.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 64.13 111.083 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -80.4 -42.82 22.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.73 121.4 33.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.25 110.901 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 27.8 p -108.56 160.18 16.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 63.12 111.163 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.83 41.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.2 110.89 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -48.25 104.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.838 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -166.79 104.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 60.35 110.877 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -135.56 -39.57 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 71.53 112.51 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.88 -173.65 4.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.344 . . . . 72.41 110.889 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -178.73 -168.69 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 72.34 110.939 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -48.96 107.87 0.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 65.23 112.535 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 111.06 2.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.715 2.276 . . . . 74.05 112.384 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -60.67 -178.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.75 -174.95 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.842 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 1.4 tptp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 61.23 110.898 179.886 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.847 0.356 . . . . 74.34 110.879 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -170.25 164.82 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.907 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -121.33 146.32 46.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 50.24 111.115 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . 0.433 ' HB3' ' OE2' ' A' ' 345' ' ' GLU . . . -101.83 -178.73 3.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 74.12 111.123 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 1.2 t -120.63 87.65 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . 0.433 ' OE2' ' HB3' ' A' ' 343' ' ' ALA . 11.1 mp0 -140.19 127.43 21.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 71.32 110.924 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 1.4 m 49.27 88.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 73.11 111.121 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -39.34 72.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 60.3 110.873 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -34.24 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 71.15 110.863 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -73.49 -35.8 65.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.889 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -39.08 89.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.883 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.46 HH11 HD22 ' A' ' 383' ' ' LEU . 7.4 ptp180 -74.92 -33.62 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 74.54 110.878 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.688 ' HA ' HD12 ' A' ' 355' ' ' ILE . 1.1 mp -71.19 -47.77 55.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.962 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -56.08 -28.64 58.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.883 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -77.2 -41.0 43.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.847 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 352' ' ' LEU . 21.3 mt -59.69 -38.77 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 73.14 111.133 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -71.9 -51.14 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.44 110.838 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.63 94.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 63.02 111.11 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.17 -52.1 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 64.34 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 44.3 mt -59.24 -35.0 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.32 111.138 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -61.64 -52.46 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 71.35 110.863 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -70.77 -26.96 63.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 61.12 110.872 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.2 p -76.86 -27.18 54.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 73.51 110.852 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 363' ' ' LEU . 37.4 mt -94.85 26.57 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 63.44 110.939 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 168.84 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.13 110.865 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 0.965 HD11 HG22 ' B' ' 403' ' ' ILE . 5.7 tp -84.9 -41.0 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 75.13 111.151 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.418 ' N ' HG23 ' A' ' 365' ' ' ILE . 47.6 t0 -89.18 -33.74 16.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.879 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -106.78 36.56 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 65.54 110.857 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 16.7 tp -54.46 106.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 61.41 110.924 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -132.58 74.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.921 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.769 ' HB ' HD11 ' B' ' 412' ' ' ILE . 18.2 m -51.3 -28.99 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.121 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -51.29 -37.79 49.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.86 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -76.33 -35.45 58.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.846 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 23.6 t -55.6 -57.9 10.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 70.04 110.887 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -53.41 -49.07 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 55.44 111.096 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -51.66 -35.29 41.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.884 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.497 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.94 -51.33 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.121 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 45.9 mt -52.1 -40.9 61.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.3 110.952 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.69 -44.47 96.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 44.25 110.876 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.8 -48.02 83.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 34.12 110.92 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.517 HD21 ' HE3' ' A' ' 396' ' ' MET . 0.7 OUTLIER -52.47 -52.57 53.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 52.31 110.929 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -55.21 -34.19 63.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 53.33 111.143 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.39 -36.11 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.879 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.46 HD22 HH11 ' A' ' 351' ' ' ARG . 60.7 mt -70.9 123.96 23.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 63.21 110.901 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.96 73.56 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 74.02 110.921 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 23.6 t -71.05 132.31 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 44.12 111.101 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . 0.433 HG22 ' OE1' ' A' ' 389' ' ' GLN . 15.1 t -95.56 172.48 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 72.12 111.179 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -39.15 80.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.825 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -60.56 -46.69 89.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 70.25 110.922 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . 0.433 ' OE1' HG22 ' A' ' 386' ' ' THR . 0.1 OUTLIER -71.07 -44.45 65.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 70.44 110.908 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.68 -44.0 81.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.34 111.105 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -51.69 -36.41 46.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.891 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.9 -35.21 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 71.12 110.891 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.653 ' CG ' HD23 ' A' ' 352' ' ' LEU . 74.8 m80 -95.42 35.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 70.14 110.842 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.1 p -64.41 -39.4 93.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.35 111.147 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -55.46 -48.12 75.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 65.31 110.862 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.517 ' HE3' HD21 ' A' ' 380' ' ' LEU . 58.5 ttp -55.36 -36.13 65.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 74.31 110.921 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.774 ' HA ' HD12 ' A' ' 400' ' ' LEU . 55.0 mt -68.95 -35.14 67.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 64.34 111.152 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 89.0 m -61.42 -40.22 93.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 71.25 111.119 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.0 m -62.44 -37.44 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 64.32 111.191 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 397' ' ' ILE . 15.2 mt -56.37 -34.82 67.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.889 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -76.16 -28.61 57.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 75.05 110.877 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.53 -35.54 60.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 71.01 110.865 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 0.957 HG22 HD11 ' B' ' 365' ' ' ILE . 36.1 pt -73.47 -1.56 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 75.44 111.15 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -79.61 -33.59 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 64.01 110.889 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.82 -20.14 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.9 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.489 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.43 123.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.04 110.861 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -178.91 140.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.21 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.524 HG22 ' HB ' ' A' ' 412' ' ' ILE . 9.7 p -59.91 143.75 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 43.23 111.105 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 8.0 t -76.49 179.65 5.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.868 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -80.34 -33.61 37.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.923 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.12 -38.28 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.11 111.102 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.761 HD11 ' HB ' ' B' ' 370' ' ' VAL . 98.3 mt -67.08 -54.52 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.31 111.15 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 25.6 ptp -59.86 -33.96 72.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 65.12 110.872 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -73.61 -35.89 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.873 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -76.47 -35.71 58.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.0 p -58.15 -47.12 84.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 71.33 110.784 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 32.2 m -53.31 -45.29 68.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 73.02 111.122 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.7 tpt -50.88 -50.32 57.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 71.21 110.884 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.804 HD12 HD12 ' B' ' 380' ' ' LEU . 3.7 mm? -69.51 -44.17 71.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 71.2 110.903 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -54.94 -44.82 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.963 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -72.39 -44.67 62.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 73.14 110.867 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -53.81 -46.84 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.928 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -63.18 -45.22 92.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 74.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -35.88 76.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 63.42 110.91 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 429' ' ' VAL . 1.8 t-20 -52.92 -34.09 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 44.24 110.866 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . 0.555 ' HA ' HG12 ' A' ' 429' ' ' VAL . 59.2 mtm -85.47 -35.58 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.832 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -61.98 -37.13 83.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 65.35 110.893 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 1.9 pp -75.73 -34.87 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.875 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 426' ' ' MET . 9.9 p -99.3 31.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 70.12 111.14 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -149.34 33.16 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 25.3 112.464 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.34 -171.74 2.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.943 0.402 . . . . 75.24 110.888 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -168.46 -49.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 64.41 112.484 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -176.03 170.39 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 72.32 110.88 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 1.3 t -179.41 100.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 75.02 110.898 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.776 HG12 HG13 ' A' ' 436' ' ' ILE . 20.7 t -68.19 119.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 45.03 111.091 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.776 HG13 HG12 ' A' ' 435' ' ' VAL . 25.2 mt 64.44 108.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 70.31 111.15 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.39 129.03 8.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 73.3 111.133 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -154.78 55.99 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.909 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.07 -177.94 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 34.11 111.131 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.72 119.21 9.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 61.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -177.35 -171.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 64.43 110.88 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -38.53 56.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.899 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -36.51 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 75.3 110.897 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.64 -36.0 75.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 75.3 110.915 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.74 -35.68 44.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 72.32 111.093 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -65.45 -40.75 93.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 72.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -36.16 64.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 64.54 110.892 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -52.22 -36.02 51.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 53.15 110.838 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -35.85 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 74.13 110.936 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -52.01 -44.56 64.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 75.51 110.795 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -52.78 -37.45 59.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.878 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -74.63 -56.8 4.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.854 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.63 -34.83 53.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.133 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -51.6 -44.25 62.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 74.14 110.887 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -111.41 -74.98 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 73.14 110.88 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 1.9 t 178.97 -42.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 60.34 111.153 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 71.1 -69.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 72.51 110.878 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -179.16 -170.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.86 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -141.91 137.98 31.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 44.03 110.858 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 74.36 130.74 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.74 . . . . 70.4 112.456 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -172.62 150.66 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 74.2 110.88 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -162.98 175.86 10.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 65.12 110.908 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 153.58 69.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.76 . . . . 54.43 112.496 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 146.87 61.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 72.11 112.363 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.76 160.54 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.881 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -175.78 152.46 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.926 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 65.2 110.913 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.923 0.392 . . . . 74.43 110.799 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -170.26 165.51 8.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 74.02 110.891 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -115.03 145.27 42.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 50.42 111.065 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -95.99 -175.39 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 75.44 111.106 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 1.2 t -116.8 101.91 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 61.04 110.88 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -131.15 -168.11 1.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 74.35 110.858 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 1.5 m -46.48 108.58 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 65.14 111.149 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -39.06 53.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 65.44 110.822 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -36.98 73.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 74.02 110.91 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -73.44 -39.54 64.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.86 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -39.54 94.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 65.45 110.868 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -74.69 -34.71 62.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 64.45 110.915 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.825 ' HA ' HD12 ' B' ' 355' ' ' ILE . 12.1 mt -71.51 -47.86 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 63.21 110.891 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -55.76 -28.56 56.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.931 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -76.8 -39.32 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.42 110.891 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.825 HD12 ' HA ' ' B' ' 352' ' ' LEU . 17.7 mt -60.5 -38.37 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 75.43 111.104 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -71.32 -49.84 38.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.823 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.03 99.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 75.04 111.095 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.59 -51.19 67.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.832 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.403 HG23 ' SG ' ' B' ' 373' ' ' CYS . 43.3 mt -59.87 -35.47 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 62.43 111.145 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -61.05 -52.27 65.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 74.3 110.869 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -70.9 -27.21 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.2 110.888 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.7 p -76.68 -27.41 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.895 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 37.1 mt -94.45 26.3 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 45.15 110.926 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 168.85 9.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 72.41 110.895 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 0.957 HD11 HG22 ' A' ' 403' ' ' ILE . 5.8 tp -84.91 -40.84 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 74.33 111.116 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.42 ' N ' HG23 ' B' ' 365' ' ' ILE . 47.7 t0 -89.37 -33.55 16.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.872 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -106.88 36.56 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 65.1 110.885 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 16.8 tp -54.42 106.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.902 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -132.74 74.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.761 ' HB ' HD11 ' A' ' 412' ' ' ILE . 18.0 m -51.39 -29.04 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 64.02 111.126 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -51.38 -37.61 49.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 73.44 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -76.37 -35.53 58.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 64.21 110.874 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.403 ' SG ' HG23 ' B' ' 359' ' ' ILE . 20.1 t -55.35 -58.04 9.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 61.02 110.902 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.3 -47.62 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 64.33 111.143 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.96 -36.31 49.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.601 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.98 -48.86 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.15 111.11 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.11 -39.66 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 72.3 110.919 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.08 -48.31 80.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 54.03 110.846 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -46.73 79.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 62.51 110.88 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.804 HD12 HD12 ' A' ' 419' ' ' LEU . 0.4 OUTLIER -52.34 -54.93 25.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.916 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.48 64.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.22 111.071 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.62 -36.41 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.33 110.845 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 58.1 mt -72.17 121.56 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 71.02 110.909 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.37 72.32 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 65.43 110.904 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 24.6 t -69.49 132.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 70.11 111.126 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . 0.404 HG22 ' OE1' ' B' ' 389' ' ' GLN . 15.1 t -96.2 172.34 8.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 45.24 111.136 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -38.53 79.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.83 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -60.99 -47.16 87.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.938 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . 0.404 ' OE1' HG22 ' B' ' 386' ' ' THR . 0.1 OUTLIER -70.79 -44.58 66.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 74.12 110.91 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.05 -44.28 78.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 62.03 111.095 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -51.81 -36.05 46.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.916 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.51 -35.5 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 54.25 110.915 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -95.24 35.6 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.861 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 1.1 p -63.45 -40.8 98.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 54.13 111.126 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -55.55 -47.31 76.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.901 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . 0.452 ' HE3' HD21 ' B' ' 380' ' ' LEU . 53.9 ttp -55.35 -35.77 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.43 110.855 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.794 ' HA ' HD12 ' B' ' 400' ' ' LEU . 54.7 mt -70.1 -34.84 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.109 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 88.2 m -61.2 -40.08 92.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 55.43 111.137 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.4 m -62.38 -37.95 87.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 71.54 111.145 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' B' ' 397' ' ' ILE . 12.5 mt -55.87 -35.17 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.877 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -76.03 -28.48 57.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 60.31 110.898 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.54 -35.59 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.895 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.965 HG22 HD11 ' A' ' 365' ' ' ILE . 35.7 pt -73.49 -1.62 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 52.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -79.57 -33.39 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.86 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.06 -20.22 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 65.42 110.879 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.468 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -40.25 123.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 70.24 110.925 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -178.81 140.32 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.2 110.937 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.522 HG22 ' HB ' ' B' ' 412' ' ' ILE . 9.8 p -60.21 143.46 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 71.22 111.155 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 7.9 t -76.11 179.45 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 64.22 110.885 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -80.22 -33.72 37.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.914 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.09 -38.37 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.1 111.083 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.769 HD11 ' HB ' ' A' ' 370' ' ' VAL . 98.4 mt -66.87 -54.51 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 71.34 111.102 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.9 ptp -59.67 -33.89 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.904 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -73.8 -36.03 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.881 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -76.23 -34.97 59.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 74.32 110.849 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.8 p -58.89 -48.01 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 61.13 110.864 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 67.9 m -53.3 -44.44 68.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 52.43 111.173 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -51.53 -50.13 60.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.864 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 25.8 mt -71.5 -40.42 70.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 43.52 110.878 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.54 -44.12 84.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 75.05 110.916 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -73.55 -44.13 58.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 72.53 110.933 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -53.43 -47.85 69.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.932 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -62.46 -44.03 97.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 54.34 110.87 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -35.89 78.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 71.03 110.865 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -53.05 -33.54 52.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 62.42 110.875 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . 0.567 ' HA ' HG12 ' B' ' 429' ' ' VAL . 59.4 mtm -85.56 -35.36 21.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.874 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -62.45 -37.18 84.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 71.21 110.885 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 1.9 pp -74.68 -34.8 62.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 72.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.567 HG12 ' HA ' ' B' ' 426' ' ' MET . 9.8 p -97.48 30.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.125 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -152.59 44.59 0.62 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 42.01 112.488 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -169.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.947 0.403 . . . . 62.22 110.857 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 176.53 38.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 64.44 112.491 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.45 151.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 74.12 110.862 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 1.3 t -160.36 105.96 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 63.33 110.882 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.836 HG12 HG13 ' B' ' 436' ' ' ILE . 18.6 t -61.98 124.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 65.41 111.085 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.836 HG13 HG12 ' B' ' 435' ' ' VAL . 29.3 mt 64.23 109.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 70.25 111.161 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.96 127.42 6.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 73.13 111.095 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -157.45 55.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 54.42 110.863 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 17.0 m -132.15 -177.97 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 74.11 111.136 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.5 118.97 8.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.935 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -177.38 -171.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 71.33 110.86 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -38.56 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.876 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.64 -36.62 72.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 55.1 110.873 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.64 -36.0 75.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 73.22 110.885 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.69 43.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 72.51 111.091 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -65.54 -40.81 93.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.903 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -36.33 64.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 75.01 110.901 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -51.95 -36.06 48.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.903 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -35.93 48.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.893 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -51.95 -44.3 63.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 65.3 110.869 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.06 -37.56 61.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.839 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -74.44 -56.78 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 65.55 110.911 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -52.63 -34.82 53.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 64.13 111.093 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -51.65 -44.13 62.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.87 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -111.54 -74.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 72.25 110.89 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 1.9 t 178.92 -42.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 63.12 111.159 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 71.09 -69.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.908 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -179.16 -170.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.872 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -142.05 137.92 31.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 60.35 110.894 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 74.44 130.63 0.21 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 71.53 112.472 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -172.68 150.62 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 72.41 110.911 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -163.01 175.82 10.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.933 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 153.73 69.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 65.23 112.466 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 147.1 61.56 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.259 . . . . 74.05 112.268 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.89 160.78 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 71.54 110.873 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -175.9 152.66 1.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 72.33 110.862 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 61.23 110.863 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.868 0.366 . . . . 74.34 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -135.97 -52.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 73.04 110.868 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . 55.1 89.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 50.24 111.065 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -157.38 117.71 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 74.12 111.094 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.82 170.03 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.0 110.834 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -169.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 71.32 110.852 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . 0.401 HG22 ' CG ' ' A' ' 349' ' ' ASP . 0.2 OUTLIER 64.41 36.53 8.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 73.11 111.157 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 27.5 t -55.69 -35.75 66.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 60.3 110.882 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.12 -36.86 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 71.15 110.845 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . 0.401 ' CG ' HG22 ' A' ' 346' ' ' THR . 2.0 m-20 -73.93 -35.82 64.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 75.24 110.817 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.2 -37.6 81.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 64.41 110.861 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -75.21 -34.21 61.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.828 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.597 HD23 ' CG ' ' A' ' 393' ' ' HIS . 0.9 OUTLIER -71.45 -47.64 54.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 73.52 110.876 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -57.76 -30.62 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.882 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -77.12 -43.46 34.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.883 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.593 HG23 ' HB1' ' A' ' 376' ' ' ALA . 76.6 mt -63.55 -39.21 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.14 111.105 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -72.19 -45.07 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 71.44 110.796 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.96 87.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 63.02 111.063 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -54.77 -54.07 46.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 64.34 110.899 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 45.4 mt -55.39 -33.82 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 73.32 111.127 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -61.89 -52.09 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.35 110.922 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -69.56 -29.41 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 61.12 110.896 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 13.3 m -76.13 -26.92 56.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 73.51 110.822 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 22.6 mt -93.98 26.74 3.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 63.44 110.891 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.73 170.56 7.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 73.13 110.888 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 0.924 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.46 -39.79 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 75.13 111.095 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.403 ' N ' HG23 ' A' ' 365' ' ' ILE . 3.1 p30 -91.02 -33.38 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 72.25 110.922 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -105.4 36.23 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 65.54 110.846 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' B' ' 406' ' ' PHE . 17.8 tp -55.57 107.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 61.41 110.927 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -134.55 76.03 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.908 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.43 HG12 ' CD1' ' B' ' 412' ' ' ILE . 5.3 m -51.42 -29.29 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.32 111.156 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -51.71 -37.73 52.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.911 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -75.98 -35.87 59.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.878 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 35.3 t -55.21 -58.93 5.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 70.04 110.899 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.57 -47.27 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 55.44 111.106 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.79 -36.79 49.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.883 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.593 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -77.15 -50.84 12.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 74.24 111.083 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.417 HD11 HG23 ' B' ' 412' ' ' ILE . 28.9 mt -51.94 -34.46 42.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.912 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 44.25 110.869 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.59 -49.2 78.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 34.12 110.916 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.732 HD12 HD22 ' B' ' 419' ' ' LEU . 1.7 tm? -51.88 -37.16 51.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 52.31 110.924 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -68.62 -34.6 76.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 53.33 111.092 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 8.4 t -79.05 -33.79 44.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.856 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 58.5 mt -64.04 122.17 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 63.21 110.93 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -76.87 65.44 2.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.939 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -66.46 134.65 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 44.12 111.147 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.5 t -109.34 177.27 4.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 72.12 111.107 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.891 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -51.5 -50.47 59.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 70.25 110.927 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -38.59 63.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 70.44 110.864 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.09 -48.02 74.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 73.34 111.13 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -51.71 -35.79 44.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.911 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -81.47 -35.53 30.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 71.12 110.937 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.597 ' CG ' HD23 ' A' ' 352' ' ' LEU . 73.1 m80 -95.49 35.77 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 70.14 110.845 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.0 p -60.84 -37.54 82.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 63.35 111.145 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -45.34 84.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 65.31 110.872 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 48.4 ttp -55.36 -38.23 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.748 ' HA ' HD12 ' A' ' 400' ' ' LEU . 48.0 mt -69.06 -43.11 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 64.34 111.113 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 34.9 m -54.32 -37.51 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 71.25 111.136 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.8 m -68.07 -42.5 80.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 64.32 111.147 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 397' ' ' ILE . 27.5 mt -52.36 -38.16 58.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 73.43 110.916 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -75.9 -28.75 58.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 75.05 110.895 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -74.94 -36.01 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 71.01 110.911 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 0.975 HG22 HD11 ' B' ' 365' ' ' ILE . 34.3 pt -73.2 -1.53 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 75.44 111.136 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.06 -34.57 43.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.01 110.873 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . 0.428 HH21 HD23 ' B' ' 368' ' ' LEU . 0.0 OUTLIER -121.1 -18.6 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.44 110.872 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.48 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.2 OUTLIER -41.27 121.81 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.936 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -177.95 137.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 74.21 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.13 134.88 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 43.23 111.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 28.4 t -71.73 173.16 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.853 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -73.19 -34.07 65.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 74.23 110.889 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . 0.414 HG13 HG13 ' A' ' 412' ' ' ILE . 4.6 p -53.18 -41.32 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 73.11 111.14 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.442 ' CD1' HG12 ' B' ' 370' ' ' VAL . 98.2 mt -73.68 -49.66 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.129 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 36.2 mtm -55.81 -33.55 64.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 65.12 110.858 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.56 -53.36 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 73.25 110.89 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -59.76 -39.64 85.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.872 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -55.05 -47.67 74.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 71.33 110.847 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 24.8 m -57.16 -46.84 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 73.02 111.145 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 12.9 ttp -53.82 -42.25 68.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 71.21 110.851 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.642 HD22 HD12 ' B' ' 380' ' ' LEU . 57.1 mt -74.22 -44.75 51.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.958 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.561 ' CE1' HD13 ' A' ' 444' ' ' LEU . 38.2 t80 -56.06 -47.65 77.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.921 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -63.07 -40.99 99.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 73.14 110.893 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -53.56 -51.47 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.903 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.629 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 19.4 m-85 -66.53 -35.1 79.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 74.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -61.23 -37.47 83.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 63.42 110.895 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.05 -39.82 95.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 44.24 110.906 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 8.7 mtm -74.87 -32.85 61.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.9 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -73.37 -36.43 66.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 65.35 110.887 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.2 pp -84.96 -35.5 21.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 74.31 110.916 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.483 ' N ' HD12 ' A' ' 428' ' ' LEU . 99.5 t 56.44 92.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 70.12 111.127 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -107.96 110.93 3.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 25.3 112.468 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -78.87 111.22 14.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.895 0.378 . . . . 75.24 110.859 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 75.08 -109.97 2.93 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 64.41 112.505 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.55 175.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 72.32 110.882 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.36 162.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 75.02 110.861 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 5.6 m -128.14 73.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 45.03 111.159 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 13.5 mt -138.23 51.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.158 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 51.8 88.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.3 111.149 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 177.43 84.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.912 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.464 ' O ' HD12 ' A' ' 440' ' ' LEU . 5.2 m -139.53 76.72 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 34.11 111.181 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 439' ' ' VAL . 0.1 OUTLIER -178.04 172.72 1.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 61.0 110.947 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . 0.412 HD22 HD12 ' A' ' 444' ' ' LEU . 11.1 t30 -94.83 -177.33 4.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.874 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.47 -39.71 3.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.909 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 8.6 t -78.63 -54.22 6.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.791 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 420' ' ' TYR . 44.6 mt -67.0 -35.96 81.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 75.3 110.896 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.73 -36.17 46.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.125 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.14 -60.5 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.0 110.863 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -66.14 -36.02 82.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 64.54 110.89 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.461 HH21 HD21 ' A' ' 440' ' ' LEU . 0.0 OUTLIER -52.12 -36.12 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 53.15 110.882 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -51.97 -35.95 47.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.903 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . 0.521 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 0.1 OUTLIER -82.37 -51.85 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.51 110.858 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -52.27 -54.58 29.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.854 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -51.98 -36.2 48.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 75.21 110.887 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 450' ' ' HIS . . . -51.79 -36.16 46.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.2 111.075 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -80.32 -45.95 16.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.862 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.52 -169.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.899 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.12 -65.79 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 60.34 111.122 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -150.69 -169.79 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 72.51 110.945 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -107.06 -76.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 75.11 110.913 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 63.84 63.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 44.03 110.919 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -177.37 140.4 4.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.759 . . . . 70.4 112.467 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -179.39 -176.24 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 74.2 110.911 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.55 105.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 65.12 110.881 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -159.92 -178.21 33.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 54.43 112.499 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -168.95 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.645 2.23 . . . . 72.11 112.375 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.78 54.89 3.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 63.41 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt 61.86 171.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 73.41 110.927 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 65.2 110.907 179.821 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.876 0.369 . . . . 74.43 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -136.03 -52.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 74.02 110.895 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . 54.84 89.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 50.42 111.065 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -156.9 118.05 3.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 75.44 111.091 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.92 170.35 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 61.04 110.848 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -170.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 74.35 110.876 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . 0.481 HG22 ' CG ' ' B' ' 349' ' ' ASP . 0.2 OUTLIER 64.39 39.56 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 65.14 111.156 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 27.3 t -58.04 -36.73 73.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.887 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.37 -35.79 60.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 74.02 110.89 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . 0.481 ' CG ' HG22 ' B' ' 346' ' ' THR . 1.8 m-20 -73.78 -35.78 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 75.42 110.879 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -37.97 81.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 65.45 110.871 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -74.87 -33.62 62.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 64.45 110.837 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.419 HD23 ' CG ' ' B' ' 393' ' ' HIS . 1.4 mp -74.18 -33.24 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 63.21 110.956 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.56 -35.14 72.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 64.41 110.897 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -77.05 -38.32 52.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.871 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.554 HG23 ' HB1' ' B' ' 376' ' ' ALA . 60.8 mt -66.07 -40.81 88.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 75.43 111.156 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -72.05 -41.57 67.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.841 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.98 77.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.04 111.102 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -55.1 -51.22 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.901 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.432 HG22 HD12 ' B' ' 363' ' ' LEU . 42.7 mt -57.79 -33.53 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 62.43 111.16 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -62.59 -52.07 64.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 74.3 110.928 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -69.4 -30.28 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.2 110.907 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 14.3 m -76.06 -26.62 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.832 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.432 HD12 HG22 ' B' ' 359' ' ' ILE . 21.4 mt -94.11 26.72 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 45.15 110.957 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.1 171.3 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.925 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 0.975 HD11 HG22 ' A' ' 403' ' ' ILE . 5.7 tp -84.57 -39.7 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.33 111.101 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.401 ' N ' HG23 ' B' ' 365' ' ' ILE . 3.0 p30 -91.61 -32.97 15.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.879 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -105.01 36.31 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 65.1 110.904 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 406' ' ' PHE . 17.1 tp -56.0 107.5 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.24 110.907 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -135.08 76.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.891 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.442 HG12 ' CD1' ' A' ' 412' ' ' ILE . 5.6 m -51.98 -28.89 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 64.02 111.077 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.61 -38.5 54.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.888 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -75.95 -35.41 59.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 64.21 110.868 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.42 ' SG ' HG23 ' B' ' 359' ' ' ILE . 20.1 t -54.64 -59.89 4.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 61.02 110.901 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.5 -45.55 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 64.33 111.112 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -52.15 -37.55 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.554 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.98 -50.12 13.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 73.15 111.094 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . 0.424 HD11 HG23 ' A' ' 412' ' ' ILE . 29.4 mt -51.98 -34.31 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.959 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.95 -48.94 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 54.03 110.862 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -58.5 -50.55 73.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 62.51 110.897 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.655 HD13 ' O ' ' B' ' 380' ' ' LEU . 1.3 tm? -52.41 -37.43 56.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.924 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.19 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 71.22 111.108 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 8.4 t -79.96 -34.16 38.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 63.33 110.852 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.6 mt -65.37 123.94 20.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 71.02 110.918 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -77.76 73.24 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 65.43 110.944 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.96 141.24 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 70.11 111.087 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . 0.43 HG23 ' H ' ' B' ' 389' ' ' GLN . 14.9 t -116.02 173.08 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 45.24 111.162 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -39.98 96.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.904 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -56.75 -50.32 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.95 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . 0.43 ' H ' HG23 ' B' ' 386' ' ' THR . 0.0 OUTLIER -73.25 -38.72 65.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.12 110.911 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -54.81 -48.43 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 62.03 111.065 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.99 -35.81 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.879 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -81.37 -35.63 30.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 54.25 110.895 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . 0.419 ' CG ' HD23 ' B' ' 352' ' ' LEU . 71.4 m80 -95.38 35.52 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.851 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 3.5 p -60.77 -37.42 81.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 54.13 111.117 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -46.39 81.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 74.34 110.902 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 44.3 ttp -55.25 -36.55 66.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.897 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.723 ' HA ' HD12 ' B' ' 400' ' ' LEU . 22.3 mt -70.13 -43.11 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.119 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 33.1 m -56.3 -36.62 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 55.43 111.122 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.0 m -67.83 -43.38 79.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 71.54 111.152 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' B' ' 397' ' ' ILE . 18.7 mt -53.1 -36.71 61.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.923 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -76.29 -28.69 57.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 60.31 110.859 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -75.55 -35.38 60.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 72.14 110.9 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.924 HG22 HD11 ' A' ' 365' ' ' ILE . 35.7 pt -73.35 -1.58 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 52.0 111.168 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -79.17 -34.35 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 71.35 110.865 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.413 HH21 HD23 ' A' ' 368' ' ' LEU . 0.0 OUTLIER -120.87 -18.15 7.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.896 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.515 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -41.16 121.94 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 70.24 110.864 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -177.8 138.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 62.2 110.917 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.05 134.51 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 71.22 111.095 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.1 t -71.36 172.02 10.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 64.22 110.865 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -72.18 -34.29 68.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.906 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.01 -41.84 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 73.1 111.145 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.43 ' CD1' HG12 ' A' ' 370' ' ' VAL . 97.9 mt -73.06 -49.96 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 71.34 111.128 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 36.6 mtm -55.62 -33.86 64.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.871 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.32 -53.3 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.881 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -59.66 -40.22 87.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.913 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.3 p -55.0 -46.54 75.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 61.13 110.869 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 25.0 m -58.18 -46.75 85.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 52.43 111.156 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 12.9 ttp -54.28 -41.81 69.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.898 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.732 HD22 HD12 ' A' ' 380' ' ' LEU . 51.6 mt -74.36 -45.07 49.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 43.52 110.888 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.563 ' CE1' HD13 ' B' ' 444' ' ' LEU . 39.4 t80 -55.56 -47.28 76.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.911 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -61.74 -39.65 92.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.872 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -55.04 -51.59 65.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 71.45 110.864 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.452 ' HB3' HD13 ' A' ' 397' ' ' ILE . 74.1 m-85 -65.91 -31.88 73.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 54.34 110.843 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -67.05 -35.0 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 71.03 110.922 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -64.77 -43.7 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 62.42 110.878 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.1 ptp -73.97 -31.79 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.866 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -71.96 -37.3 69.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 71.21 110.895 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.495 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.3 pp -85.42 -34.94 21.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 72.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.495 ' N ' HD12 ' B' ' 428' ' ' LEU . 98.9 t 57.49 94.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.44 111.115 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -111.25 107.67 2.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 42.01 112.486 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -85.16 100.81 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 62.22 110.912 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 77.27 -61.04 3.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 64.44 112.487 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.45 176.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 74.12 110.878 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.16 -169.6 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 63.33 110.871 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 6.2 m -107.24 74.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 65.41 111.073 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 16.0 mt -144.26 55.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 70.25 111.108 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.411 HG22 ' H ' ' B' ' 438' ' ' GLN . 0.2 OUTLIER 64.6 -178.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 73.13 111.114 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . 0.411 ' H ' HG22 ' B' ' 437' ' ' THR . 17.3 mt-30 66.69 96.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 54.42 110.922 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 6.6 m -145.93 66.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.101 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.56 179.14 2.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.895 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -92.64 -179.49 5.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 71.33 110.882 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.49 -38.92 4.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.923 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 8.5 t -77.88 -54.25 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 55.1 110.829 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . 0.563 HD13 ' CE1' ' B' ' 420' ' ' TYR . 45.4 mt -66.79 -36.02 81.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.22 110.949 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.81 -36.44 47.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.51 111.16 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.81 -60.7 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.849 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.77 -36.02 82.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 75.01 110.912 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -35.93 48.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.875 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -52.16 -36.04 50.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.934 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . 0.506 ' O ' ' HB3' ' B' ' 453' ' ' ALA . 0.1 OUTLIER -82.14 -52.36 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 65.3 110.878 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -52.21 -53.58 41.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 75.43 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.79 -35.89 57.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 65.55 110.864 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' B' ' 450' ' ' HIS . . . -51.5 -39.23 57.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 64.13 111.106 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -79.39 -44.35 21.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.861 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.81 -172.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 72.25 110.902 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.73 -66.41 0.48 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 63.12 111.13 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -179.14 164.71 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 73.2 110.881 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -86.88 -174.55 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.857 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -174.96 30.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 60.35 110.901 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -176.31 132.72 2.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.689 -0.767 . . . . 71.53 112.446 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -167.26 103.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 72.41 110.875 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.26 88.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.888 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -98.34 165.37 21.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.678 -0.772 . . . . 65.23 112.482 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -50.3 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 74.05 112.353 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -177.91 36.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 71.54 110.884 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt 63.36 167.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.872 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 61.23 110.919 179.868 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.895 0.379 . . . . 74.34 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -166.3 149.33 7.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.918 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -156.73 158.81 37.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 50.24 111.144 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -118.08 -176.73 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 74.12 111.09 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.75 75.94 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 73.0 110.834 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.8 153.32 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.32 110.893 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.32 108.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 73.11 111.193 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 15.4 m -52.24 -49.25 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 60.3 110.816 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.61 -38.44 64.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 71.15 110.862 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -73.43 -35.75 65.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.24 110.915 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.16 -36.58 79.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 64.41 110.876 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.491 HH11 HD22 ' A' ' 383' ' ' LEU . 8.5 ptp180 -77.57 -33.54 53.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 74.54 110.848 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 352' ' ' LEU . 18.9 mt -75.03 -40.74 60.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.892 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.07 -35.36 79.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.897 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -77.28 -35.33 55.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 75.43 110.857 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 26.8 mt -62.34 -42.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.114 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -72.11 -45.38 60.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.881 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.62 99.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 63.02 111.129 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -54.98 -42.37 72.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 64.34 110.903 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.542 HG22 HD12 ' A' ' 363' ' ' LEU . 38.8 mt -66.06 -34.19 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 73.32 111.153 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -58.79 -52.12 67.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.933 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -70.38 -33.58 71.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 61.12 110.895 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 9.6 p -74.66 -10.62 59.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 73.51 110.858 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.542 HD12 HG22 ' A' ' 359' ' ' ILE . 31.5 mt -113.23 26.44 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 63.44 110.926 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.79 169.76 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.884 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 0.997 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.29 -38.66 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 75.13 111.151 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -91.7 -31.96 15.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 72.25 110.858 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -109.76 36.35 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 65.54 110.864 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' B' ' 406' ' ' PHE . 18.7 tp -53.69 107.32 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 61.41 110.885 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -132.03 80.9 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 74.15 110.843 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' B' ' 412' ' ' ILE . 11.3 m -59.28 -27.16 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.32 111.125 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -51.72 -40.19 59.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 71.21 110.904 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -35.17 59.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.833 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 359' ' ' ILE . 13.3 t -53.42 -57.58 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 70.04 110.858 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.58 -49.69 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 55.44 111.147 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.89 -34.17 39.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.9 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.87 -53.96 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.067 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.7 mt -52.09 -42.7 63.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 72.3 110.907 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -48.97 77.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 44.25 110.86 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -44.95 82.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 34.12 110.875 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.743 HD12 HD12 ' B' ' 419' ' ' LEU . 0.9 OUTLIER -51.97 -54.16 33.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 52.31 110.898 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.08 -33.94 67.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 53.33 111.108 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 58.0 m -71.97 -36.85 69.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.818 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.491 HD22 HH11 ' A' ' 351' ' ' ARG . 61.2 mt -69.78 116.29 10.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 63.21 110.916 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -75.23 72.12 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.02 110.898 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -83.12 143.56 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 44.12 111.118 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.3 t -104.91 170.01 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 72.12 111.117 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.65 -37.15 58.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.857 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -51.89 -57.93 7.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 70.25 110.903 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -61.16 -35.5 77.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 70.44 110.96 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.97 98.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.099 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.32 -38.44 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.25 110.914 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -85.32 -33.45 22.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 71.12 110.936 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -96.39 35.54 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.813 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.76 ' HA ' HD12 ' A' ' 397' ' ' ILE . 1.4 p -61.67 -35.12 77.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 63.35 111.161 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -46.03 87.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 65.31 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.418 ' HE3' HD21 ' A' ' 380' ' ' LEU . 48.4 ttp -55.3 -37.51 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 74.31 110.91 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.804 ' HA ' HD12 ' A' ' 400' ' ' LEU . 5.9 mt -70.26 -42.99 78.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 64.34 111.1 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 85.9 m -54.41 -40.17 67.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 71.25 111.081 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 65.9 m -64.93 -42.3 94.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 64.32 111.176 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 397' ' ' ILE . 16.1 mt -52.46 -36.19 54.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.924 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -28.84 57.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.05 110.887 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -75.88 -36.0 59.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 71.01 110.886 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 0.986 HG22 HD11 ' B' ' 365' ' ' ILE . 37.3 pt -72.97 -1.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 75.44 111.153 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.89 -34.3 44.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 64.01 110.892 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 -19.4 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.903 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.492 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -40.25 118.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.887 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.87 134.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.921 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.402 HG22 ' HB ' ' A' ' 412' ' ' ILE . 9.9 p -60.6 134.61 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 43.23 111.123 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 22.9 t -69.94 172.38 7.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.88 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -73.68 -34.64 64.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.918 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . 0.483 HG22 ' HD2' ' A' ' 415' ' ' LYS . 5.9 p -54.82 -39.76 49.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 73.11 111.118 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.641 HD11 ' HB ' ' B' ' 370' ' ' VAL . 89.2 mt -74.2 -44.52 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.31 111.145 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.2 mtm -61.1 -42.82 99.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 65.12 110.883 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.98 -33.66 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.901 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.483 ' HD2' HG22 ' A' ' 411' ' ' VAL . 26.8 mttp -74.11 -34.85 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 75.21 110.905 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.9 p -62.17 -47.37 84.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 71.33 110.892 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 46.1 m -52.42 -42.9 64.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 73.02 111.105 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 6.1 tpt -51.69 -52.35 48.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 71.21 110.884 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.778 HD12 HD12 ' B' ' 380' ' ' LEU . 3.5 mm? -69.31 -42.35 75.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 71.2 110.944 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -55.04 -47.8 74.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 74.23 110.93 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -71.84 -35.67 69.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.92 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -59.02 -45.49 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.914 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.403 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 27.2 m-85 -75.37 -36.16 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . 0.703 ' HG2' HD23 ' A' ' 428' ' ' LEU . 5.1 ttpm? -66.69 -35.13 79.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 63.42 110.881 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.401 ' HA ' HD21 ' A' ' 428' ' ' LEU . 0.9 OUTLIER -57.68 -35.58 70.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 44.24 110.87 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 53.8 mtm -85.95 -32.66 21.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.848 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.501 ' HA ' ' HE1' ' B' ' 387' ' ' MET . 3.2 m-30 -70.0 -35.47 74.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 65.35 110.89 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.703 HD23 ' HG2' ' A' ' 424' ' ' LYS . 4.5 pp -80.37 -34.67 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.896 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.534 ' N ' HD12 ' A' ' 428' ' ' LEU . 98.0 t 56.76 84.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 70.12 111.153 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . 0.444 ' N ' HD12 ' A' ' 428' ' ' LEU . . . 66.44 147.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 25.3 112.469 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -51.91 157.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 75.24 110.878 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -56.61 -179.32 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 64.41 112.483 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.99 -172.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 72.32 110.877 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.94 96.43 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 75.02 110.88 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 23.2 m -150.69 176.31 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 45.03 111.099 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 3.8 mp -87.39 -75.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 70.31 111.135 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.38 170.19 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 73.3 111.103 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -158.16 99.3 1.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.899 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 27.0 m -75.1 -179.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 34.11 111.092 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.604 HD23 ' HE3' ' A' ' 424' ' ' LYS . 5.4 mt -87.74 -72.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 61.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . 0.641 ' ND2' HD12 ' A' ' 444' ' ' LEU . 0.7 OUTLIER -102.21 -172.33 2.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 64.43 110.917 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -116.16 -68.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.867 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -55.02 12.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 75.3 110.872 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . 0.641 HD12 ' ND2' ' A' ' 441' ' ' ASN . 1.5 mt -65.51 -34.58 78.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 75.3 110.934 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.18 -35.1 34.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 72.32 111.093 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.07 -60.36 3.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 72.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -47.16 62.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 64.54 110.931 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.539 ' NH2' HD22 ' A' ' 444' ' ' LEU . 55.3 mtt-85 -51.96 -35.63 46.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 53.15 110.828 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.78 -35.95 45.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.923 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -36.04 74.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.856 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -76.07 -57.19 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.912 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -36.27 49.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.912 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.56 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 74.2 111.08 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -62.32 -44.56 96.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.901 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -155.78 144.4 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.904 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.3 t -175.64 167.26 3.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 60.34 111.125 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.99 -73.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 72.51 110.89 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.82 149.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 75.11 110.87 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -177.15 153.89 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 44.03 110.956 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 145.16 156.04 6.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 70.4 112.469 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -136.78 164.48 28.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 74.2 110.918 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -79.43 172.09 14.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 65.12 110.901 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -170.69 165.72 38.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 54.43 112.483 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 177.16 5.84 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 72.11 112.346 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -92.59 -169.58 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 63.41 110.896 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.4 -177.45 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.873 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 65.2 110.909 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.825 0.345 . . . . 74.43 110.864 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -166.35 149.35 7.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.911 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -156.67 158.75 37.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 50.42 111.107 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -117.93 -176.51 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 75.44 111.063 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.84 75.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 61.04 110.891 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.47 153.39 50.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 74.35 110.874 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.41 108.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 65.14 111.13 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 15.4 m -52.42 -49.94 63.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 65.44 110.877 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.8 tpt -53.14 -37.75 62.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 74.02 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -73.4 -35.53 65.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.899 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.33 -37.92 77.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 65.45 110.82 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -74.94 -37.09 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 64.45 110.847 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.628 ' HA ' HD12 ' B' ' 355' ' ' ILE . 29.6 mt -71.51 -47.57 54.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 63.21 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.85 -30.93 64.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.41 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -76.72 -40.86 47.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.42 110.822 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.7 mt -60.51 -40.27 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 75.43 111.124 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -71.88 -50.12 32.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.839 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.1 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 75.04 111.098 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -54.94 -42.26 72.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.929 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.534 HG22 HD12 ' B' ' 363' ' ' LEU . 30.6 mt -65.69 -34.93 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 62.43 111.131 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmm -58.15 -52.06 67.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 74.3 110.892 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -70.32 -33.61 71.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.2 110.892 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.5 p -74.62 -10.55 59.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.871 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.534 HD12 HG22 ' B' ' 359' ' ' ILE . 32.0 mt -113.5 26.34 10.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 45.15 110.924 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.78 169.82 13.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.912 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 0.986 HD11 HG22 ' A' ' 403' ' ' ILE . 5.8 tp -84.33 -38.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.164 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.87 -31.96 15.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 64.14 110.882 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -109.7 36.3 3.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 65.1 110.909 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' A' ' 406' ' ' PHE . 18.4 tp -53.71 107.32 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -131.92 80.76 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.869 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.641 ' HB ' HD11 ' A' ' 412' ' ' ILE . 11.5 m -59.12 -27.3 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 64.02 111.13 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -51.72 -40.28 59.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.867 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -34.81 59.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 64.21 110.862 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.422 ' SG ' HG23 ' B' ' 359' ' ' ILE . 12.2 t -53.42 -57.84 9.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 61.02 110.903 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.46 -48.7 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 64.33 111.147 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.79 -35.3 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.495 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.59 -53.54 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 73.15 111.106 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 4.7 mt -52.17 -42.64 63.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.934 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -47.38 84.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 54.03 110.849 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.5 -45.25 85.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 62.51 110.886 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.778 HD12 HD12 ' A' ' 419' ' ' LEU . 0.8 OUTLIER -52.21 -54.46 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.925 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.16 -33.94 65.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 71.22 111.131 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 58.1 m -72.84 -36.57 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 63.33 110.84 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 63.8 mt -70.08 116.52 10.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 71.02 110.915 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -75.63 71.35 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 65.43 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -82.96 142.56 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 70.11 111.158 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.4 t -103.11 170.76 7.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 45.24 111.185 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . 0.501 ' HE1' ' HA ' ' A' ' 427' ' ' PHE . 0.5 OUTLIER -54.07 -36.95 63.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.31 110.879 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -51.85 -54.68 26.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.94 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.12 -35.99 82.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.48 94.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 62.03 111.104 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -51.39 -35.98 41.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.928 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -87.29 -33.62 19.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 54.25 110.917 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -98.24 35.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.865 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.777 ' HA ' HD12 ' B' ' 397' ' ' ILE . 1.3 p -61.02 -35.55 77.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 54.13 111.14 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -45.37 86.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.864 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 48.0 ttp -55.43 -38.03 68.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.819 ' HA ' HD12 ' B' ' 400' ' ' LEU . 6.2 mt -69.45 -43.06 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 71.44 111.153 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 85.5 m -54.49 -40.36 68.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 55.43 111.121 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.2 m -64.81 -42.34 95.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 71.54 111.129 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' B' ' 397' ' ' ILE . 16.4 mt -52.49 -36.38 54.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.903 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -28.87 58.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 60.31 110.927 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -75.84 -36.01 59.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.871 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.997 HG22 HD11 ' A' ' 365' ' ' ILE . 37.4 pt -72.89 -1.66 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 52.0 111.182 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -78.85 -34.4 45.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.862 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -19.41 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.882 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.499 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.35 118.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.24 110.859 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -174.99 134.34 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 62.2 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.402 HG22 ' HB ' ' B' ' 412' ' ' ILE . 9.9 p -60.17 134.66 25.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 71.22 111.132 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 22.7 t -70.07 172.19 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 64.22 110.828 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -73.31 -35.13 66.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.953 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . 0.484 HG22 ' HD2' ' B' ' 415' ' ' LYS . 6.0 p -54.41 -39.7 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 73.1 111.163 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' A' ' 370' ' ' VAL . 89.4 mt -74.19 -44.57 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 71.34 111.137 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 22.2 mtm -60.99 -42.66 98.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.872 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.11 -33.77 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.93 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . 0.484 ' HD2' HG22 ' B' ' 411' ' ' VAL . 27.0 mttp -74.07 -34.59 64.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.911 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.6 p -62.42 -47.43 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 61.13 110.846 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 47.0 m -52.45 -42.62 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 52.43 111.137 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 6.0 tpt -51.82 -52.3 50.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.891 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.743 HD12 HD12 ' A' ' 380' ' ' LEU . 3.5 mm? -69.47 -42.36 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 43.52 110.873 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -54.95 -48.1 73.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.923 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -71.43 -36.61 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 72.53 110.877 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -58.49 -45.18 89.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 71.45 110.901 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -75.27 -37.19 61.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 54.34 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . 0.737 ' HG2' HD23 ' B' ' 428' ' ' LEU . 5.3 ttpm? -65.61 -34.98 79.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 71.03 110.92 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . 0.414 ' HA ' HD21 ' B' ' 428' ' ' LEU . 0.9 OUTLIER -56.86 -35.16 68.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.42 110.903 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 54.5 mtm -85.97 -33.39 21.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.908 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.95 -35.89 77.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.872 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.737 HD23 ' HG2' ' B' ' 424' ' ' LYS . 4.6 pp -80.08 -35.3 37.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 72.0 110.93 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.532 ' N ' HD12 ' B' ' 428' ' ' LEU . 97.9 t 57.96 83.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 74.44 111.126 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . 0.433 ' N ' HD12 ' B' ' 428' ' ' LEU . . . 66.4 147.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 42.01 112.468 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -51.91 155.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 62.22 110.87 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -55.51 176.28 0.69 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 64.44 112.485 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.99 -176.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 74.12 110.902 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.76 90.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 63.33 110.819 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 24.0 m -149.9 169.62 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 65.41 111.143 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.42 ' H ' HD12 ' B' ' 436' ' ' ILE . 1.8 mp -78.22 159.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 70.25 111.133 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.417 ' N ' HG22 ' B' ' 436' ' ' ILE . 0.2 OUTLIER 52.27 -171.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 73.13 111.134 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -169.57 114.04 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 54.42 110.892 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 26.9 m -76.76 -176.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.11 111.094 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . 0.567 HD23 ' HE3' ' B' ' 424' ' ' LYS . 5.6 mt -89.29 -74.44 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 73.25 110.902 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . 0.605 ' ND2' HD12 ' B' ' 444' ' ' LEU . 0.7 OUTLIER -101.91 -171.93 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.91 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -116.1 -68.23 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.925 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -55.03 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 55.1 110.893 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . 0.605 HD12 ' ND2' ' B' ' 441' ' ' ASN . 1.6 mt -65.42 -34.71 78.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 73.22 110.939 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.13 -35.08 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 72.51 111.077 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.08 -60.32 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.877 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -47.26 62.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.01 110.88 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . 0.56 ' NH2' HD22 ' B' ' 444' ' ' LEU . 54.7 mtt-85 -51.97 -35.55 46.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.926 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -35.93 44.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 73.21 110.916 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -35.97 74.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 65.3 110.866 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -76.13 -57.17 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.85 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -36.44 49.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 65.55 110.923 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.59 69.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 64.13 111.089 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -62.21 -44.65 96.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.901 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -155.72 144.5 20.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 72.25 110.87 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 15.3 t -175.59 167.42 3.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 63.12 111.128 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.15 -73.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 73.2 110.868 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.84 149.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.44 110.838 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -177.42 153.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 60.35 110.949 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 145.52 156.85 7.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 71.53 112.496 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -137.47 165.95 25.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 72.41 110.883 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -77.78 173.69 11.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.856 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -172.79 175.88 45.74 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 65.23 112.456 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -170.83 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.719 2.28 . . . . 74.05 112.319 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -105.57 -75.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.54 110.874 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.36 154.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 72.33 110.903 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 61.23 110.912 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.91 0.386 . . . . 74.34 110.885 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -100.37 -174.14 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.04 110.876 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -163.39 45.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 50.24 111.06 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . 60.49 175.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 74.12 111.073 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.07 -63.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.0 110.888 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 56.21 -174.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.18 145.0 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 73.11 111.14 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.95 -48.24 82.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 60.3 110.856 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.3 ttm -57.15 -36.68 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 71.15 110.87 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -73.74 -35.65 65.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.24 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -38.34 84.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 64.41 110.861 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -74.71 -33.49 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.887 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.12 -32.86 63.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.887 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.6 -34.72 72.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.923 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -77.32 -36.02 54.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.882 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 31.7 mt -60.99 -43.01 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.11 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -72.59 -45.37 59.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.889 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.07 93.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 63.02 111.068 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.82 -45.09 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 64.34 110.911 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 44.9 mt -67.45 -34.17 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.117 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -52.74 -52.23 57.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 71.35 110.897 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -75.04 -26.66 59.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 61.12 110.846 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.4 p -79.03 -2.73 41.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.51 110.904 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 43.8 mt -121.5 25.86 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 63.44 110.938 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -69.18 169.97 11.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.894 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 1.039 HD11 HG22 ' B' ' 403' ' ' ILE . 6.1 tp -84.32 -39.8 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.13 111.129 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.412 ' N ' HG23 ' A' ' 365' ' ' ILE . 5.0 p-10 -92.83 -31.41 15.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 72.25 110.881 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -111.26 36.51 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 65.54 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 21.6 tp -53.28 107.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 61.41 110.905 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -125.71 74.29 1.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 74.15 110.875 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.774 ' HB ' HD11 ' B' ' 412' ' ' ILE . 16.6 m -57.86 -28.59 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 73.32 111.122 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -52.09 -39.96 60.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 71.21 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -33.23 60.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.871 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 45.7 t -53.1 -58.98 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 70.04 110.883 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.72 -47.48 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 55.44 111.121 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.57 -35.38 41.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.11 110.925 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.0 -53.91 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 74.24 111.112 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 18.4 mt -52.23 -36.03 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.928 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -62.84 -46.08 89.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 44.25 110.897 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.42 -46.4 90.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 34.12 110.902 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.546 ' O ' HD13 ' A' ' 380' ' ' LEU . 1.0 OUTLIER -52.59 -43.89 65.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 52.31 110.913 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -61.66 -34.51 75.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 53.33 111.063 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -36.01 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.853 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 63.5 mt -68.06 109.32 3.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 63.21 110.866 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -77.4 61.64 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.91 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -70.19 140.81 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 44.12 111.137 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -92.89 173.15 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.12 111.146 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -35.51 76.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.843 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -55.12 -56.46 19.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 70.25 110.903 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.43 -39.35 65.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.81 -51.28 68.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.34 111.091 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 394' ' ' THR . 1.4 mt-30 -52.36 -37.8 57.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 75.25 110.891 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -66.47 -33.98 76.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.892 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -94.91 35.68 1.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 70.14 110.861 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 391' ' ' GLN . 0.7 OUTLIER -51.44 -34.56 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 63.35 111.131 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.57 -48.45 74.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 65.31 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 24.1 ttp -55.28 -56.23 22.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.31 110.884 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.1 mt -52.24 -43.09 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 64.34 111.125 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 56.7 m -55.53 -39.44 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 71.25 111.121 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 90.5 m -68.14 -39.07 82.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 64.32 111.077 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 397' ' ' ILE . 27.4 mt -54.6 -36.95 64.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 73.43 110.866 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -76.64 -28.74 56.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 75.05 110.875 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -75.68 -33.8 60.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.01 110.883 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.017 HG22 HD11 ' B' ' 365' ' ' ILE . 36.4 pt -75.14 -2.27 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 75.44 111.187 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -77.66 -34.07 53.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 64.01 110.869 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.1 -14.31 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.44 110.839 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.65 ' CE2' HD13 ' B' ' 368' ' ' LEU . 11.5 t80 -45.56 108.55 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 75.04 110.876 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -166.31 139.58 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.21 110.901 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 6.1 p -61.21 131.14 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 43.23 111.125 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 16.8 t -61.33 177.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.868 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.22 -40.2 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.913 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.1 -39.87 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.11 111.077 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.696 HD11 ' HB ' ' B' ' 370' ' ' VAL . 96.0 mt -64.25 -54.48 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.31 111.122 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 17.7 ptp -62.3 -31.47 72.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 65.12 110.892 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -74.95 -37.69 61.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 73.25 110.898 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -73.96 -38.73 64.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.868 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . 0.402 ' HB2' HD11 ' B' ' 403' ' ' ILE . 63.2 p -55.08 -48.76 73.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.856 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . 0.596 HG22 ' OD1' ' A' ' 421' ' ' ASN . 57.9 m -52.81 -42.67 65.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 73.02 111.152 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -51.08 64.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 71.21 110.819 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.91 -36.91 72.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -60.08 -42.7 95.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.927 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.596 ' OD1' HG22 ' A' ' 417' ' ' THR . 23.2 m120 -72.25 -41.41 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 73.14 110.921 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.65 -51.59 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.884 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -69.7 -36.83 76.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -60.42 -40.82 92.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.452 ' HA ' HD23 ' A' ' 428' ' ' LEU . 5.9 t-20 -58.41 -34.45 70.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 44.24 110.934 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 38.2 mtm -85.47 -34.71 21.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.876 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.537 ' CZ ' HD13 ' B' ' 397' ' ' ILE . 2.8 m-85 -61.35 -37.05 81.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.888 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 425' ' ' ASN . 1.6 pp -71.56 -33.01 68.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 74.31 110.934 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 89.7 t 55.31 90.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 70.12 111.131 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -135.72 -75.35 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 25.3 112.487 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 53.57 78.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 75.24 110.865 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -133.15 131.38 6.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 64.41 112.464 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.03 -78.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 72.32 110.834 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 1.5 m -174.18 122.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 75.02 110.858 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 17.6 m -58.97 130.25 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 45.03 111.126 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.6 -77.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 70.31 111.109 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 51.0 p -148.7 -173.58 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 73.3 111.174 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 54.06 90.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 73.44 110.889 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 22.0 t -107.2 117.39 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 34.11 111.126 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 11.0 mp -107.75 137.03 46.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 61.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -111.08 -176.12 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 64.43 110.875 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -116.16 -67.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 73.11 110.888 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 5.1 m -66.69 -55.07 16.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.3 110.863 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 46.5 mt -65.12 -35.69 81.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 75.3 110.888 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.56 -36.66 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 72.32 111.119 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.32 -60.65 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 72.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -61.1 -37.28 82.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 64.54 110.943 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -63.57 -63.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 53.15 110.893 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.48 -36.09 63.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.86 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.15 -59.62 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.848 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -71.99 -43.18 65.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 75.33 110.874 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.46 -36.14 54.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 75.21 110.933 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.88 -35.53 45.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 74.2 111.109 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -97.58 -38.54 9.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.864 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.11 -170.2 2.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.93 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -157.41 -173.5 4.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 60.34 111.161 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.22 133.95 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 72.51 110.884 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -148.66 162.45 39.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.842 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -170.63 171.39 6.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 44.03 110.924 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 174.25 116.43 0.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 70.4 112.462 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.94 151.74 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 74.2 110.952 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -138.87 35.7 2.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 65.12 110.915 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 60.84 166.66 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.727 . . . . 54.43 112.486 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 122.56 9.24 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.722 2.281 . . . . 72.11 112.393 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.88 -53.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 63.41 110.853 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -76.44 176.59 8.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.945 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 1.5 mttm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 65.2 110.909 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.892 0.377 . . . . 74.43 110.846 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -100.57 -174.18 2.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 74.02 110.878 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -163.29 45.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 50.42 111.065 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . 60.53 175.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.058 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.13 -63.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 61.04 110.859 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 56.24 -174.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.35 110.863 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.54 145.83 34.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 65.14 111.188 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -48.62 79.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 65.44 110.865 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.3 ttm -56.67 -36.89 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 74.02 110.911 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -73.66 -34.86 65.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 75.42 110.823 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -38.5 80.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 65.45 110.829 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -74.28 -34.78 63.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 64.45 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.53 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.0 OUTLIER -70.64 -47.44 60.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 63.21 110.868 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -59.0 -30.41 67.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 64.41 110.886 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -76.14 -42.03 48.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.42 110.931 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.9 mt -59.71 -39.33 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.43 111.116 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -72.09 -50.76 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.846 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.08 88.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.04 111.11 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.89 -44.05 73.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 74.45 110.888 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 48.3 mt -68.69 -34.53 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 62.43 111.181 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -51.8 -52.05 51.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.3 110.876 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -75.07 -26.83 59.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.847 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -77.5 -4.01 43.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.842 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 53.9 mt -121.2 25.92 9.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 45.15 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.04 170.42 8.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.902 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.017 HD11 HG22 ' A' ' 403' ' ' ILE . 6.1 tp -84.98 -39.53 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.146 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.404 ' N ' HG23 ' B' ' 365' ' ' ILE . 4.9 p-10 -93.01 -31.33 14.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 64.14 110.863 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -111.48 36.67 3.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 65.1 110.891 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.65 HD13 ' CE2' ' A' ' 406' ' ' PHE . 20.6 tp -53.12 107.11 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 73.24 110.915 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -126.8 77.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.878 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.696 ' HB ' HD11 ' A' ' 412' ' ' ILE . 8.1 m -59.99 -27.04 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.02 111.091 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -51.87 -39.97 59.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.879 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -33.25 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 64.21 110.872 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 47.6 t -53.19 -59.11 4.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 61.02 110.864 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.8 mt -53.73 -47.13 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 64.33 111.191 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.88 -35.65 45.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 75.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.502 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.89 -53.55 7.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 73.15 111.074 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.1 -35.82 49.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.49 -42.7 95.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 54.03 110.886 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -47.89 80.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 62.51 110.896 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.501 HD13 ' O ' ' B' ' 380' ' ' LEU . 0.8 OUTLIER -52.4 -45.85 66.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 72.31 110.9 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.66 72.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 71.22 111.086 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -36.21 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 63.33 110.859 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.14 109.4 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 71.02 110.922 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -77.37 61.85 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 65.43 110.91 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -70.34 140.31 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 70.11 111.149 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -92.25 173.1 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 45.24 111.117 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -35.72 77.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.847 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -55.06 -55.89 25.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.91 -38.27 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.919 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.58 -51.1 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 62.03 111.082 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . 0.58 ' O ' HG23 ' B' ' 394' ' ' THR . 1.4 mt-30 -52.7 -36.62 57.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 71.43 110.883 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -66.58 -34.98 79.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 54.25 110.891 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -95.09 35.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.872 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.58 HG23 ' O ' ' B' ' 391' ' ' GLN . 0.7 OUTLIER -51.73 -34.86 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 54.13 111.12 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.42 -47.09 76.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.34 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 26.6 ttp -55.9 -56.64 18.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.859 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.78 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.0 mt -51.81 -43.11 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 71.44 111.114 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 56.1 m -55.43 -38.17 68.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 55.43 111.128 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 89.5 m -69.62 -39.58 77.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 71.54 111.128 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.78 HD12 ' HA ' ' B' ' 397' ' ' ILE . 22.9 mt -53.99 -36.15 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.953 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -76.53 -29.07 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 60.31 110.885 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -75.48 -34.42 60.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.14 110.944 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 1.039 HG22 HD11 ' A' ' 365' ' ' ILE . 38.9 pt -74.92 -1.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 52.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -82.55 -32.3 28.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 71.35 110.871 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.88 -20.2 8.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 65.42 110.925 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.466 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -41.57 118.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 70.24 110.89 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -175.28 140.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 62.2 110.921 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.93 127.66 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 71.22 111.124 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 14.8 t -58.45 170.19 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 64.22 110.819 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.03 -35.3 76.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 73.33 110.887 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.5 p -60.04 -39.71 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.1 111.093 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.774 HD11 ' HB ' ' A' ' 370' ' ' VAL . 80.9 mt -64.2 -54.13 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.34 111.097 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.2 ptp -64.61 -31.62 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.878 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.39 -40.52 67.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.867 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -72.78 -38.35 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.903 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.434 ' HB2' HD11 ' A' ' 403' ' ' ILE . 60.7 p -55.09 -49.67 71.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 61.13 110.871 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 90.6 m -52.68 -42.5 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 52.43 111.136 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -51.99 61.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 74.22 110.894 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . . . . . . . . . 66.4 mt -69.99 -38.29 75.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 43.52 110.921 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -57.99 -44.57 87.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 75.05 110.939 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.01 -41.01 71.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 72.53 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.47 -51.04 64.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.863 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -70.99 -37.07 72.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 54.34 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -59.87 -40.66 89.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 71.03 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . 0.44 ' HA ' HD23 ' B' ' 428' ' ' LEU . 5.9 t-20 -58.43 -34.41 70.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 62.42 110.878 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.4 mtm -85.99 -33.97 20.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.861 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . 0.603 ' CZ ' HD13 ' A' ' 397' ' ' ILE . 2.9 m-85 -61.8 -37.19 83.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 71.21 110.874 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' B' ' 425' ' ' ASN . 1.8 pp -71.3 -33.16 69.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 72.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 91.5 t 55.07 88.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.115 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -132.24 -73.23 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 42.01 112.487 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 58.35 96.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 62.22 110.866 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -113.43 -145.46 9.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 64.44 112.48 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.39 -61.4 2.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.771 0.319 . . . . 74.12 110.815 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . 0.573 ' O ' HG23 ' B' ' 436' ' ' ILE . 1.3 m -154.94 142.72 19.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 63.33 110.864 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 16.3 m -51.34 121.74 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 65.41 111.094 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.573 HG23 ' O ' ' B' ' 434' ' ' SER . 2.8 pt -133.94 -174.12 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 70.25 111.186 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 68.7 p -79.95 -177.59 6.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.13 111.153 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 63.43 85.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 54.42 110.891 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.06 117.56 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.11 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . 0.433 ' N ' HD22 ' B' ' 440' ' ' LEU . 1.7 mm? -107.39 137.46 45.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 73.25 110.86 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -111.02 -175.52 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.851 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -116.17 -68.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.875 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 5.0 m -66.86 -55.03 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 55.1 110.843 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 46.3 mt -65.13 -35.54 81.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 73.22 110.886 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.6 -36.64 46.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.51 111.092 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -61.53 -60.63 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.872 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.78 -37.83 83.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.01 110.911 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -63.21 -63.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.852 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.68 -36.49 64.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.943 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -59.55 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 65.3 110.841 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -71.76 -43.36 65.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.854 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -36.13 53.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 65.55 110.905 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.67 -36.07 44.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 64.13 111.074 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -97.09 -38.77 9.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.874 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -169.86 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 72.25 110.917 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -161.17 -176.22 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 63.12 111.124 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.93 149.6 23.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 73.2 110.884 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -160.87 163.33 32.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 72.44 110.835 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -172.96 171.78 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.453 . . . . 60.35 110.894 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 172.67 114.8 0.35 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 71.53 112.481 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.52 151.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 72.41 110.912 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -138.97 35.81 2.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 72.34 110.945 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 60.91 166.66 0.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 65.23 112.493 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 122.58 9.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 74.05 112.338 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -172.89 -53.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 71.54 110.898 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -76.49 176.53 8.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 1.5 mttm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 61.23 110.926 179.86 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.868 0.366 . . . . 74.34 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -140.65 152.31 45.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 73.04 110.893 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -171.08 176.46 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 50.24 111.066 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -159.31 -74.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.12 111.093 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 13.7 m 60.62 97.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -143.93 168.87 18.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 71.32 110.94 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.39 175.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 73.11 111.11 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -60.46 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 60.3 110.845 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -39.05 64.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 71.15 110.898 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.34 -34.72 65.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.903 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 8.6 t -66.47 -39.7 88.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 64.41 110.871 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -33.36 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.904 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.609 HD23 ' CG ' ' A' ' 393' ' ' HIS . 0.9 OUTLIER -70.45 -47.64 59.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 73.52 110.876 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -57.6 -30.94 65.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.902 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -77.43 -42.15 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.889 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.525 HG23 ' HB1' ' A' ' 376' ' ' ALA . 19.3 mt -59.41 -41.67 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.079 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -72.09 -49.15 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 71.44 110.865 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.45 93.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 63.02 111.103 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.82 -54.03 47.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 64.34 110.842 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.413 HG22 HD12 ' A' ' 363' ' ' LEU . 44.1 mt -56.26 -33.81 38.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.32 111.112 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -61.91 -52.21 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.877 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.69 -31.19 69.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 61.12 110.901 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 16.3 m -74.48 -26.72 60.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 73.51 110.854 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.413 HD12 HG22 ' A' ' 359' ' ' ILE . 21.2 mt -93.96 26.71 3.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.936 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.98 171.03 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.869 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 0.947 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.43 -39.14 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.13 111.143 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -92.17 -32.09 15.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 72.25 110.856 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -105.96 36.33 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 65.54 110.876 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' B' ' 406' ' ' PHE . 17.5 tp -55.96 107.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 61.41 110.946 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.83 75.68 1.59 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.239 -0.437 . . . . 74.15 110.848 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.544 ' O ' HD12 ' A' ' 374' ' ' ILE . 5.9 m -51.56 -28.95 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 73.32 111.152 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -51.75 -38.29 54.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 71.21 110.884 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -76.11 -35.33 59.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.85 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.401 ' SG ' HG23 ' A' ' 359' ' ' ILE . 25.9 t -54.84 -59.51 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 70.04 110.851 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 370' ' ' VAL . 2.7 mp -53.28 -46.16 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 55.44 111.131 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.77 -36.66 48.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 74.11 110.935 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.525 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -77.09 -51.51 10.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 74.24 111.096 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.41 HD11 HG23 ' B' ' 412' ' ' ILE . 22.1 mt -51.88 -35.42 45.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 72.3 110.92 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -61.7 -46.67 88.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 44.25 110.875 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -61.86 -47.28 85.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 34.12 110.84 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.786 HD12 HD22 ' B' ' 419' ' ' LEU . 1.5 tm? -52.41 -45.15 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 52.31 110.935 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -64.0 -34.66 78.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 53.33 111.106 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -36.28 63.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 74.33 110.863 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.44 116.1 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 63.21 110.911 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.21 62.48 2.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 74.02 110.903 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.26 138.81 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 44.12 111.133 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -98.85 173.82 6.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 72.12 111.126 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.19 -38.37 79.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 74.23 110.919 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -55.18 -56.96 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 70.25 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -67.07 -38.82 86.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.928 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.98 -45.11 91.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 73.34 111.114 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . 0.593 ' O ' HG23 ' A' ' 394' ' ' THR . 3.1 mt-30 -51.84 -36.13 47.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.876 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -75.76 -35.67 60.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.912 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.609 ' CG ' HD23 ' A' ' 352' ' ' LEU . 75.9 m80 -95.5 35.51 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 70.14 110.904 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.804 ' HA ' HD12 ' A' ' 397' ' ' ILE . 2.8 p -56.8 -36.66 70.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 63.35 111.217 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -46.89 81.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 65.31 110.896 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -55.43 -36.1 66.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.882 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 394' ' ' THR . 10.1 mt -69.97 -39.89 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 64.34 111.14 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 55.3 m -58.51 -42.82 88.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 71.25 111.167 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -61.96 -38.46 88.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 64.32 111.153 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 397' ' ' ILE . 21.4 mt -56.79 -35.89 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.937 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -76.09 -28.59 57.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.908 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -75.47 -35.6 60.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 71.01 110.856 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 0.972 HG22 HD11 ' B' ' 365' ' ' ILE . 35.5 pt -73.29 -1.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.44 111.146 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -79.0 -34.43 44.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 64.01 110.867 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.14 -18.81 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.867 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.486 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.2 OUTLIER -40.8 118.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.04 110.865 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -174.56 135.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.917 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.49 132.86 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 43.23 111.11 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 30.1 t -69.7 172.77 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.886 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.25 -33.74 65.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 74.23 110.918 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . 0.409 HG13 HG13 ' A' ' 412' ' ' ILE . 4.3 p -53.13 -41.81 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.11 111.122 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.446 HD11 ' HB ' ' B' ' 370' ' ' VAL . 96.6 mt -73.72 -48.87 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 74.31 111.176 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 12.7 mtm -56.14 -34.23 65.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 65.12 110.883 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.16 -53.13 13.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.931 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -59.93 -40.95 90.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.907 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 93.1 p -54.94 -43.34 73.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.905 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 16.9 m -59.25 -52.78 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 73.02 111.185 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -42.5 41.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.904 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.718 HD22 HD12 ' B' ' 380' ' ' LEU . 55.2 mt -75.35 -35.15 61.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.901 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -58.92 -63.28 1.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.959 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -61.15 -33.39 73.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.14 110.893 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -53.06 -45.77 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.905 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.509 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 47.7 m-85 -75.36 -49.91 17.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 74.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -52.08 -37.99 55.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 63.42 110.894 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.513 ' O ' HG12 ' A' ' 429' ' ' VAL . 22.0 t-20 -51.9 -35.45 45.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 44.24 110.856 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . 0.517 ' HA ' HG12 ' A' ' 429' ' ' VAL . 57.0 mtm -85.39 -35.27 21.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.856 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -63.28 -37.12 86.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 65.35 110.913 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 2.0 pp -75.99 -35.28 59.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.906 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 426' ' ' MET . 9.8 p -98.6 30.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 70.12 111.12 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -84.04 -49.78 4.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 25.3 112.492 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -100.04 124.07 45.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 75.24 110.867 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 62.7 -139.42 45.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 64.41 112.481 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.62 -54.0 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 72.32 110.877 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.35 154.73 14.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 75.02 110.833 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 33.0 m -142.81 153.64 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 45.03 111.104 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.597 HD12 ' OG1' ' A' ' 437' ' ' THR . 1.8 pp -132.22 138.22 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 70.31 111.088 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.597 ' OG1' HD12 ' A' ' 436' ' ' ILE . 0.7 OUTLIER 64.16 93.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 73.3 111.146 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.94 174.17 12.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 73.44 110.926 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 6.8 m -130.9 68.6 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 34.11 111.096 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.05 -73.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 61.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -87.67 -36.43 17.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 64.43 110.91 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -94.9 13.43 24.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.11 110.878 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.03 -36.49 50.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.3 110.831 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -36.7 73.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 75.3 110.87 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.21 99.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 72.32 111.087 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -59.79 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 72.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -63.27 -36.17 82.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 64.54 110.914 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -52.04 -55.93 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 53.15 110.901 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -36.69 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.907 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -65.28 -59.72 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.51 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.33 -40.46 68.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 75.33 110.851 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.55 -35.71 75.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 75.21 110.884 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.42 -38.13 52.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 74.2 111.088 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -91.47 -49.06 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.902 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -87.4 116.49 25.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 73.14 110.931 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.0 -78.03 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 60.34 111.12 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.32 -175.9 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 72.51 110.903 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -132.86 -171.61 2.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 75.11 110.839 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -153.46 137.88 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 44.03 110.947 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -113.64 -142.78 8.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.728 . . . . 70.4 112.5 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.2 87.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 74.2 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -173.97 144.86 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 65.12 110.893 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 145.74 165.94 11.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 54.43 112.5 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.13 13.17 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.228 . . . . 72.11 112.341 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.27 -75.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 63.41 110.905 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 52.29 -170.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.877 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 9.9 tttt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 65.2 110.93 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.867 0.365 . . . . 74.43 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -140.65 152.51 45.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 74.02 110.9 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -171.05 176.41 4.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 50.42 111.096 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -159.25 -75.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 75.44 111.112 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 13.7 m 61.0 97.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 61.04 110.878 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -143.77 169.32 17.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 74.35 110.873 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.31 176.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 65.14 111.208 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -61.77 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 65.44 110.78 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -37.14 61.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 74.02 110.862 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.99 -33.4 63.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 8.5 t -68.85 -37.25 79.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 65.45 110.845 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -32.49 57.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 64.45 110.886 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.51 HD23 ' CG ' ' B' ' 393' ' ' HIS . 1.0 OUTLIER -74.24 -41.38 61.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 63.21 110.891 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -63.1 -36.05 82.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 64.41 110.908 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -76.97 -36.32 56.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.838 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.465 HG23 ' HB1' ' B' ' 376' ' ' ALA . 28.7 mt -63.14 -42.61 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.43 111.121 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -72.09 -43.89 64.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.86 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 75.04 111.071 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.05 -52.19 63.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 74.45 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.434 HG22 HD12 ' B' ' 363' ' ' LEU . 42.0 mt -57.89 -33.61 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 62.43 111.155 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -62.27 -52.27 64.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 74.3 110.944 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.93 -31.3 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 15.8 m -74.6 -26.78 60.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.843 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.434 HD12 HG22 ' B' ' 359' ' ' ILE . 21.4 mt -93.73 26.67 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 45.15 110.91 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.13 171.05 7.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.887 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 0.972 HD11 HG22 ' A' ' 403' ' ' ILE . 5.7 tp -84.41 -38.92 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.112 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.53 -31.98 15.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 64.14 110.844 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -105.85 36.42 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 65.1 110.909 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 406' ' ' PHE . 17.5 tp -56.11 107.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.914 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.95 75.62 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.845 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.538 ' O ' HD12 ' B' ' 374' ' ' ILE . 6.2 m -51.51 -29.13 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 64.02 111.1 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -51.63 -38.29 54.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.909 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -76.13 -35.46 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 64.21 110.878 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.415 ' SG ' HG23 ' B' ' 359' ' ' ILE . 29.5 t -54.55 -59.02 5.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 61.02 110.895 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.538 HD12 ' O ' ' B' ' 370' ' ' VAL . 2.7 mp -53.41 -44.81 56.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 64.33 111.147 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.96 -37.28 52.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.465 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.99 -51.01 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.15 111.124 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 19.8 mt -52.07 -35.52 47.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.93 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -63.03 -46.66 86.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 54.03 110.924 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -61.03 -47.23 87.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 62.51 110.9 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.718 HD12 HD22 ' A' ' 419' ' ' LEU . 1.2 tm? -52.61 -49.2 65.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 72.31 110.887 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.88 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.081 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -36.62 63.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 63.33 110.821 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.28 116.66 6.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 71.02 110.895 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.97 61.16 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 65.43 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.34 138.38 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.11 111.121 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -98.2 173.82 6.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 45.24 111.134 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.25 -38.41 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.31 110.887 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -55.19 -56.56 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.97 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -67.22 -38.44 85.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.945 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.38 -44.86 92.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 62.03 111.089 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . 0.593 ' O ' HG23 ' B' ' 394' ' ' THR . 3.2 mt-30 -51.77 -36.0 45.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.922 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -75.87 -35.91 59.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 54.25 110.912 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . 0.51 ' CG ' HD23 ' B' ' 352' ' ' LEU . 74.3 m80 -95.57 35.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.855 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.811 ' HA ' HD12 ' B' ' 397' ' ' ILE . 3.0 p -57.02 -35.69 69.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 54.13 111.131 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.51 -46.35 83.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.92 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -55.8 -36.2 67.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 75.43 110.885 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' B' ' 394' ' ' THR . 9.6 mt -69.68 -39.85 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 71.44 111.141 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 52.6 m -59.47 -41.53 89.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 55.43 111.116 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.7 m -63.51 -36.1 82.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 71.54 111.126 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' B' ' 397' ' ' ILE . 27.6 mt -58.95 -36.05 74.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.908 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -75.95 -28.82 58.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 60.31 110.871 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -74.89 -35.97 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 72.14 110.882 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.947 HG22 HD11 ' A' ' 365' ' ' ILE . 33.6 pt -73.38 -1.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 52.0 111.159 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -79.22 -34.37 42.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.83 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.11 -18.78 7.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 65.42 110.842 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.504 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.2 OUTLIER -40.9 119.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 70.24 110.935 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -174.63 135.77 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 62.2 110.879 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 13.5 p -62.58 132.45 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 71.22 111.112 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 31.4 t -69.12 172.65 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 64.22 110.834 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.29 -33.8 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 73.33 110.892 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . 0.406 HG13 HG13 ' B' ' 412' ' ' ILE . 4.4 p -53.13 -41.66 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 73.1 111.142 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.445 HD11 ' HB ' ' A' ' 370' ' ' VAL . 96.9 mt -73.71 -48.55 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 71.34 111.116 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.6 mtm -56.68 -33.8 66.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.813 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.63 -52.53 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.848 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -60.47 -39.21 86.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.889 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 79.1 p -54.96 -47.3 74.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 61.13 110.847 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 32.4 m -57.09 -49.47 75.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 52.43 111.167 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -43.32 60.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.848 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.786 HD22 HD12 ' A' ' 380' ' ' LEU . 54.1 mt -74.43 -40.38 61.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 43.52 110.915 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -59.41 -58.01 10.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.887 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.09 -35.23 74.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 72.53 110.852 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -56.95 -51.52 68.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.45 110.878 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 49.1 m-85 -65.28 -51.23 62.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 54.34 110.869 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -52.21 -37.59 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 71.03 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . 0.476 ' O ' HG12 ' B' ' 429' ' ' VAL . 21.8 t-20 -52.4 -35.36 51.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 62.42 110.894 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . 0.539 ' HA ' HG12 ' B' ' 429' ' ' VAL . 56.3 mtm -85.5 -35.47 21.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.87 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -62.78 -36.95 84.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 71.21 110.846 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . . . . . . . . . 2.0 pp -76.01 -35.14 59.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 72.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' B' ' 426' ' ' MET . 9.9 p -98.51 31.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.107 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -84.54 -51.65 3.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 42.01 112.479 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.15 125.1 44.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 62.22 110.922 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 61.47 -139.69 47.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.747 . . . . 64.44 112.47 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.17 -53.81 3.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 74.12 110.9 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.38 154.98 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.856 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 33.0 m -143.02 153.83 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 65.41 111.141 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.608 HD12 ' OG1' ' B' ' 437' ' ' THR . 1.8 pp -132.32 138.58 52.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 70.25 111.148 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.608 ' OG1' HD12 ' B' ' 436' ' ' ILE . 0.7 OUTLIER 63.79 94.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 73.13 111.148 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.2 174.15 13.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 54.42 110.941 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 6.8 m -130.86 68.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 74.11 111.122 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.93 -74.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 73.25 110.897 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -87.48 -36.54 17.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.33 110.899 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -94.71 13.43 24.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.843 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -36.58 50.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 55.1 110.871 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -36.46 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 73.22 110.904 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.27 99.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 72.51 111.136 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.52 -59.75 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.871 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -63.4 -36.08 82.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.94 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -52.14 -55.12 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.864 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -37.17 75.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.948 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -65.11 -59.76 3.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 65.3 110.879 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -54.7 -38.44 67.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.891 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -37.13 73.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 65.55 110.875 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.73 -41.32 61.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 64.13 111.102 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -92.92 -38.29 11.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.904 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -84.38 107.64 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 72.25 110.927 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.5 -169.87 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 63.12 111.117 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.84 168.88 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.869 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -118.33 -171.78 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.887 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -149.99 139.07 21.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 60.35 110.927 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -111.64 -139.53 7.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 71.53 112.465 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.12 87.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 72.41 110.896 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -174.34 144.81 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.911 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 145.46 165.76 11.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 65.23 112.535 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -35.11 13.18 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 74.05 112.332 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.26 -75.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 71.54 110.921 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 52.24 -169.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 72.33 110.874 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 9.9 tttt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 61.23 110.901 179.876 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.824 0.345 . . . . 74.34 110.835 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -157.6 95.22 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 73.04 110.9 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -146.75 140.53 25.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 50.24 111.055 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -148.0 170.43 17.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.087 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 4.8 p -143.31 163.79 32.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -128.04 -73.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 71.32 110.901 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.28 165.64 11.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 73.11 111.163 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.89 -60.04 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 60.3 110.849 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -36.07 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.15 110.863 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -73.79 -46.72 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.884 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 14.6 t -60.11 -39.05 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 64.41 110.861 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -75.26 -33.95 61.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.87 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.631 HD23 HD12 ' A' ' 355' ' ' ILE . 10.9 mt -69.07 -47.86 64.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.924 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -26.56 43.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.33 110.913 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -76.97 -38.12 53.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.875 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.631 HD12 HD23 ' A' ' 352' ' ' LEU . 56.5 mt -61.92 -41.52 91.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.129 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -71.82 -42.79 66.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.851 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -65.36 -44.67 86.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 63.02 111.122 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -55.15 -50.67 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.424 HG22 HD12 ' A' ' 363' ' ' LEU . 43.0 mt -57.29 -35.36 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 73.32 111.108 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -47.28 83.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.897 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -75.73 -30.57 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 61.12 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.7 p -78.03 -3.06 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.833 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.424 HD12 HG22 ' A' ' 359' ' ' ILE . 51.8 mt -121.45 26.03 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 63.44 110.855 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 170.67 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.885 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 1.048 HD11 HG22 ' B' ' 403' ' ' ILE . 5.9 tp -84.52 -41.0 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 75.13 111.127 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.431 ' N ' HG23 ' A' ' 365' ' ' ILE . 4.8 p-10 -92.16 -32.36 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.851 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -109.88 36.34 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 65.54 110.889 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.531 HD13 ' CD2' ' B' ' 406' ' ' PHE . 17.3 tp -53.51 107.61 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 61.41 110.908 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -123.64 69.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.869 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.684 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.8 m -52.38 -30.06 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 73.32 111.117 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -52.21 -42.06 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.877 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -35.56 59.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.872 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' A' ' 359' ' ' ILE . 42.4 t -53.96 -37.18 63.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 70.04 110.884 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.1 mt -73.76 -50.24 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 55.44 111.125 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.53 -34.51 36.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.937 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.425 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.65 -53.8 7.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.109 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 70.5 mt -52.03 -43.87 63.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 72.3 110.882 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -63.24 -35.01 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 44.25 110.875 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.96 -46.21 82.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 34.12 110.884 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.541 HD12 HD22 ' B' ' 419' ' ' LEU . 3.4 tm? -51.39 -53.19 39.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 52.31 110.92 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.667 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -55.93 -24.97 41.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 53.33 111.099 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.25 26.79 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.88 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.583 HD11 ' CD1' ' A' ' 355' ' ' ILE . 22.4 mt -111.66 -30.67 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 63.21 110.877 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 49.99 50.26 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.872 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.73 147.3 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 44.12 111.106 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -82.63 173.9 11.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 72.12 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 4.3 ttt -64.16 -38.09 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.855 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -55.15 -55.54 30.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 70.25 110.968 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -72.75 -35.69 67.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.899 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.66 91.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 73.34 111.092 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . 0.554 ' O ' HG23 ' A' ' 394' ' ' THR . 18.5 mt-30 -51.6 -51.54 54.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.931 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -51.97 -33.95 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 71.12 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -95.15 35.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 70.14 110.854 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.764 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.6 OUTLIER -57.49 -35.22 69.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 63.35 111.119 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.84 -44.18 90.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 65.31 110.904 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 49.1 ttp -55.35 -44.88 76.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.922 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.764 HD12 ' HA ' ' A' ' 394' ' ' THR . 5.7 mt -60.73 -42.01 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 64.34 111.154 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 7.3 m -54.99 -37.04 66.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 71.25 111.181 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.8 m -70.28 -35.42 73.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.32 111.138 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 397' ' ' ILE . 22.4 mt -60.95 -36.24 78.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.903 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -28.78 56.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.05 110.886 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -75.91 -35.42 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 71.01 110.875 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.031 HG22 HD11 ' B' ' 365' ' ' ILE . 41.0 pt -73.11 -1.88 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 75.44 111.138 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -33.63 45.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 64.01 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -20.48 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.874 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.562 ' HE1' HG13 ' B' ' 408' ' ' VAL . 0.7 OUTLIER -42.43 113.67 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.04 110.873 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 31.6 pttt -175.63 133.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.564 HG13 ' HE1' ' B' ' 406' ' ' PHE . 2.2 m -51.9 145.94 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 43.23 111.096 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 40.7 t -87.87 157.32 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 74.43 110.882 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -52.24 -35.65 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 74.23 110.879 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -58.84 -40.0 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 73.11 111.117 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.617 HD11 ' HB ' ' B' ' 370' ' ' VAL . 80.1 mt -73.25 -50.68 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.31 111.093 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 11.5 mtm -60.06 -32.35 70.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 65.12 110.919 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -75.68 -45.72 35.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -65.03 -34.83 79.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 75.21 110.91 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.8 p -58.99 -52.27 66.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 71.33 110.842 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 65.1 m -52.47 -43.64 65.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 73.02 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -51.93 -49.06 63.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.895 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.587 HD22 HD12 ' B' ' 380' ' ' LEU . 50.4 mt -73.57 -38.39 65.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 71.2 110.911 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -57.02 -51.77 67.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.938 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -66.48 -36.22 82.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.91 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -54.97 -49.54 71.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.922 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -74.43 -36.11 63.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . 0.558 ' HG2' HD23 ' A' ' 428' ' ' LEU . 4.2 ttpm? -57.18 -50.72 71.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 63.42 110.926 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.75 -39.24 65.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 44.24 110.913 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 10.0 mtm -75.2 -35.12 61.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.876 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.44 ' HE2' HG22 ' B' ' 394' ' ' THR . 3.6 m-85 -69.66 -35.96 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 65.35 110.89 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.558 HD23 ' HG2' ' A' ' 424' ' ' LYS . 4.3 pp -85.57 -35.03 21.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.933 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.49 ' N ' HD12 ' A' ' 428' ' ' LEU . 98.3 t 59.25 94.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 70.12 111.134 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 147.04 142.74 3.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 25.3 112.482 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -144.86 118.56 9.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 75.24 110.855 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -157.84 -46.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 64.41 112.482 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.15 167.91 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 72.32 110.863 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . 0.526 ' O ' HG13 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -178.51 120.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.02 110.849 -179.787 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 434' ' ' SER . 0.3 OUTLIER -159.61 63.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 45.03 111.106 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 28.2 mt 63.06 107.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.175 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 96.4 m 60.68 104.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 73.3 111.189 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -62.77 142.31 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.92 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 5.1 m -122.73 76.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 34.11 111.157 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 12.2 mt -139.99 92.72 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 61.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -140.45 145.47 37.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 64.43 110.918 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -116.03 -67.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.905 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 7.2 m -61.76 -53.89 49.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 75.3 110.885 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.21 -35.77 81.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.931 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.56 -36.63 46.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 72.32 111.144 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.15 -58.84 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.23 -36.08 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 64.54 110.88 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -52.04 -38.37 56.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 53.15 110.82 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -52.03 -41.53 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.91 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . 0.454 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 0.0 OUTLIER -82.51 -44.42 15.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 75.51 110.891 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.57 -58.67 6.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.874 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.63 -36.4 64.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.849 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 450' ' ' HIS . . . -52.35 -35.86 52.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.2 111.088 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -89.39 -36.9 15.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.902 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 152.69 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 73.14 110.885 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.6 t -119.95 170.3 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 60.34 111.17 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.57 179.0 4.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 72.51 110.883 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.82 176.89 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 75.11 110.87 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -82.31 56.99 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 44.03 110.923 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -48.71 -85.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 70.4 112.491 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.81 -177.84 6.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 74.2 110.904 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.62 -67.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 65.12 110.895 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 78.79 169.34 36.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.772 -0.727 . . . . 54.43 112.531 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -171.16 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.724 2.283 . . . . 72.11 112.316 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -53.82 171.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 63.41 110.925 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.23 177.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 73.41 110.915 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 65.2 110.886 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.893 0.378 . . . . 74.43 110.839 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -157.52 95.04 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.883 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -146.66 140.33 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 50.42 111.118 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -147.75 170.45 17.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 75.44 111.075 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 4.8 p -143.62 163.68 32.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 61.04 110.887 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -127.89 -72.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 74.35 110.877 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.31 165.79 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 65.14 111.174 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.22 -59.29 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 65.44 110.872 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -36.34 60.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 74.02 110.854 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.25 -45.54 55.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.42 110.878 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 14.8 t -61.32 -39.54 90.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 65.45 110.852 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -75.36 -34.13 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 64.45 110.899 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.573 ' HA ' HD12 ' B' ' 355' ' ' ILE . 12.6 mt -70.8 -48.28 55.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 63.21 110.923 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -26.19 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.897 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -76.87 -37.4 55.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 71.42 110.849 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' B' ' 352' ' ' LEU . 43.3 mt -62.87 -41.01 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.43 111.139 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -70.79 -40.86 72.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.874 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -68.24 -44.21 76.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.095 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -55.35 -50.2 70.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 74.45 110.895 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.404 HG22 HD12 ' B' ' 363' ' ' LEU . 42.4 mt -57.68 -35.37 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 62.43 111.093 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -46.99 83.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.841 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -75.73 -30.82 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 75.2 110.908 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 7.3 p -77.81 -3.16 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.875 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.425 HD21 ' SG ' ' B' ' 373' ' ' CYS . 53.8 mt -121.35 25.9 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 45.15 110.904 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 170.89 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.861 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.031 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.69 -40.86 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.33 111.116 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.428 ' N ' HG23 ' B' ' 365' ' ' ILE . 4.9 p-10 -92.46 -32.38 14.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 64.14 110.852 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -109.66 36.2 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 65.1 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.543 HD13 ' CD2' ' A' ' 406' ' ' PHE . 16.9 tp -53.5 107.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.916 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -123.29 69.37 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.843 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.617 ' HB ' HD11 ' A' ' 412' ' ' ILE . 7.4 m -52.02 -30.49 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 64.02 111.122 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -52.25 -42.19 63.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -35.52 60.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 64.21 110.868 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.425 ' SG ' HD21 ' B' ' 363' ' ' LEU . 43.1 t -53.63 -38.03 63.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.86 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.0 mt -73.11 -49.23 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 64.33 111.117 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.9 -35.49 45.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.499 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.64 -53.79 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 73.15 111.089 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 70.9 mt -52.21 -42.96 63.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 72.3 110.931 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.19 -35.83 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 54.03 110.848 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -45.66 89.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 62.51 110.883 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.587 HD12 HD22 ' A' ' 419' ' ' LEU . 3.2 tm? -52.88 -52.14 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.878 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . 0.546 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -54.96 -33.23 62.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 71.22 111.084 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -28.75 64.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 63.33 110.807 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 41.3 mt -91.05 95.17 9.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 71.02 110.9 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -70.7 76.28 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 65.43 110.891 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 386' ' ' THR . 3.5 p -78.49 142.41 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 70.11 111.123 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . 0.4 ' O ' HG22 ' B' ' 385' ' ' VAL . 14.7 t -80.44 174.1 11.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 45.24 111.127 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.2 ttt -63.57 -37.78 88.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.817 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -55.3 -54.58 41.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.923 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -73.85 -35.93 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.12 110.859 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.44 92.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 62.03 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . 0.551 ' O ' HG23 ' B' ' 394' ' ' THR . 18.3 mt-30 -51.84 -50.5 60.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 71.43 110.912 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -52.52 -34.41 49.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 54.25 110.88 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -95.08 35.52 1.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.828 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.668 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.6 OUTLIER -56.8 -35.34 68.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 54.13 111.142 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.88 -42.44 89.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.897 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 43.5 ttp -55.43 -48.02 75.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 75.43 110.901 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.798 ' HA ' HD12 ' B' ' 400' ' ' LEU . 5.8 mt -58.37 -41.93 82.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 71.44 111.109 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 7.4 m -54.45 -37.32 65.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 55.43 111.128 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 89.4 m -71.27 -36.87 71.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 71.54 111.133 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' B' ' 397' ' ' ILE . 21.5 mt -59.83 -35.63 75.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.11 110.889 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -28.89 55.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 60.31 110.917 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -76.01 -35.2 59.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 72.14 110.887 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 1.048 HG22 HD11 ' A' ' 365' ' ' ILE . 41.0 pt -73.06 -1.83 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 52.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -33.66 44.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 71.35 110.888 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.75 -20.36 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 65.42 110.849 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.564 ' HE1' HG13 ' A' ' 408' ' ' VAL . 0.7 OUTLIER -42.59 113.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 70.24 110.868 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -175.52 133.75 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 62.2 110.888 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.562 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.0 m -51.69 146.24 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 71.22 111.129 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 40.6 t -88.29 157.0 18.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.842 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -51.97 -35.55 46.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 73.33 110.887 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . 0.4 HG13 HG13 ' B' ' 412' ' ' ILE . 6.3 p -59.04 -39.84 79.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 73.1 111.158 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.684 HD11 ' HB ' ' A' ' 370' ' ' VAL . 81.4 mt -73.14 -50.64 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 71.34 111.157 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 11.5 mtm -60.05 -32.75 71.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 75.13 110.86 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -75.23 -45.99 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.895 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -64.93 -34.29 78.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -59.65 -51.41 69.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 61.13 110.895 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 63.7 m -52.55 -43.55 65.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 52.43 111.154 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.0 tpt -51.6 -51.27 56.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.905 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 381' ' ' ALA . 52.3 mt -72.02 -37.59 69.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 43.52 110.922 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -56.9 -52.95 63.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 75.05 110.887 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -66.79 -37.2 84.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.53 110.866 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -53.36 -49.35 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 71.45 110.868 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -74.74 -35.93 62.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 54.34 110.84 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . 0.569 ' HG2' HD23 ' B' ' 428' ' ' LEU . 4.3 ttpm? -57.69 -50.51 72.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 71.03 110.905 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -39.66 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 62.42 110.87 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -75.05 -35.2 61.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.851 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . 0.471 ' HE2' HG22 ' A' ' 394' ' ' THR . 3.6 m-85 -69.36 -35.75 76.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 71.21 110.904 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.569 HD23 ' HG2' ' B' ' 424' ' ' LYS . 4.3 pp -86.08 -35.15 20.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 72.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.503 ' N ' HD12 ' B' ' 428' ' ' LEU . 99.0 t 59.72 95.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.121 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 147.54 142.72 3.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.725 -0.75 . . . . 42.01 112.461 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -145.91 120.75 9.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.937 0.399 . . . . 62.22 110.863 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -159.32 -39.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 64.44 112.505 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -170.26 2.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 74.12 110.834 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.1 -169.59 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 63.33 110.823 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.768 HG12 HG13 ' B' ' 436' ' ' ILE . 10.6 t 67.28 119.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 65.41 111.142 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.768 HG13 HG12 ' B' ' 435' ' ' VAL . 22.1 mt 65.26 153.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 70.25 111.121 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 12.8 t -45.87 134.96 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 73.13 111.145 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -57.82 142.14 46.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 54.42 110.965 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 6.3 m -123.28 66.08 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 74.11 111.168 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 12.3 mt -131.71 94.09 3.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 73.25 110.861 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -140.6 143.98 35.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 71.33 110.914 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.8 -67.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.907 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 7.2 m -62.73 -52.03 64.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 55.1 110.818 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.85 -35.83 80.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 73.22 110.891 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.67 -36.85 48.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.51 111.077 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.15 -57.9 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 74.42 110.891 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -35.94 75.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 75.01 110.947 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -52.3 -38.72 59.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.832 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -51.88 -41.44 61.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' B' ' 453' ' ' ALA . 0.0 OUTLIER -82.55 -44.21 16.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 65.3 110.865 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.74 -58.73 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.868 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -36.62 64.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 65.55 110.906 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 450' ' ' HIS . . . -52.35 -36.0 52.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 64.13 111.113 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -89.02 -36.71 15.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.889 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 153.37 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 72.25 110.886 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 14.6 t -119.16 173.17 7.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 63.12 111.127 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 -176.44 3.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 73.2 110.927 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.73 -171.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 72.44 110.853 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -70.87 -35.09 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 60.35 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 49.74 -105.28 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 71.53 112.474 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.57 -172.35 3.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.354 . . . . 72.41 110.905 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.27 -69.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 72.34 110.915 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 79.68 169.45 38.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 65.23 112.494 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -171.3 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.236 . . . . 74.05 112.383 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -54.46 172.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 71.54 110.886 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.11 177.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.86 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 61.23 110.877 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.871 0.367 . . . . 74.34 110.832 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.59 177.04 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 73.04 110.875 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -89.97 -173.21 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 50.24 111.084 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -166.62 166.6 15.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 74.12 111.086 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 31.0 p -149.95 108.34 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 73.0 110.866 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.76 104.5 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 71.32 110.884 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 57.48 35.77 26.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 73.11 111.178 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 27.9 p -70.73 -36.6 73.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 60.3 110.901 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -36.76 64.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 71.15 110.907 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.37 -40.74 64.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.865 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -63.62 -37.95 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.865 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.613 HH11 HD22 ' A' ' 383' ' ' LEU . 8.2 ptp180 -76.34 -33.43 58.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 74.54 110.869 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.521 HD22 ' HE3' ' A' ' 396' ' ' MET . 23.7 mt -75.97 -32.02 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.92 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.09 -32.48 67.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.891 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -78.28 -38.49 42.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 75.43 110.873 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.403 HG23 ' HB1' ' A' ' 376' ' ' ALA . 45.9 mt -65.18 -38.12 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 73.14 111.143 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -72.86 -43.37 62.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.892 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.77 78.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 63.02 111.131 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.55 -42.67 71.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 64.34 110.883 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 29.4 mt -68.22 -31.88 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.109 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -61.92 -52.32 64.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 71.35 110.927 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -71.17 -29.05 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 61.12 110.925 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 71.8 m -75.48 -26.9 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 73.51 110.857 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 35.8 mt -95.1 26.67 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 63.44 110.918 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.36 168.83 13.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.901 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 0.886 HD11 HG22 ' B' ' 403' ' ' ILE . 5.2 tp -84.66 -37.87 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 75.13 111.143 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -90.46 -33.74 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 72.25 110.917 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -108.64 36.62 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 65.54 110.905 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' B' ' 406' ' ' PHE . 14.9 tp -56.47 107.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 61.41 110.906 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -132.97 75.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.15 110.865 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.641 ' HB ' HD11 ' B' ' 412' ' ' ILE . 14.0 m -51.07 -28.89 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.115 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -51.7 -38.47 55.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.915 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -76.29 -35.55 58.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.858 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 18.0 t -53.4 -58.84 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 70.04 110.836 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.42 -47.07 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 55.44 111.141 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.97 -34.86 44.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.903 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.403 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.24 -52.7 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 74.24 111.117 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.63 HD23 ' CB ' ' B' ' 415' ' ' LYS . 2.9 mp -52.01 -34.83 44.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 72.3 110.902 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -58.58 -49.41 77.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 44.25 110.937 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.19 -50.14 74.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 34.12 110.93 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.649 ' O ' HD13 ' A' ' 380' ' ' LEU . 1.5 tm? -51.69 -37.19 49.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 52.31 110.962 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.05 -34.12 72.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 53.33 111.084 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 23.0 t -76.52 -35.67 58.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.847 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.613 HD22 HH11 ' A' ' 351' ' ' ARG . 82.7 mt -69.1 109.81 4.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 63.21 110.898 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -77.25 60.14 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 74.02 110.917 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.63 138.81 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 44.12 111.102 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.1 t -94.0 171.67 8.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 72.12 111.103 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -35.35 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.887 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.91 -59.23 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 70.25 110.893 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.24 -36.02 80.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 70.44 110.935 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.8 -47.23 86.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.093 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 394' ' ' THR . 28.5 mt-30 -51.69 -37.07 49.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.891 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -35.23 68.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 71.12 110.941 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -95.43 35.52 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 70.14 110.805 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.451 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.7 OUTLIER -51.44 -35.18 38.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 63.35 111.162 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.55 -43.81 93.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 65.31 110.874 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.521 ' HE3' HD22 ' A' ' 352' ' ' LEU . 42.3 ttp -55.33 -47.18 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.875 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.707 ' HA ' HD12 ' A' ' 400' ' ' LEU . 2.9 mt -61.11 -42.3 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 64.34 111.161 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 9.4 m -54.12 -43.84 70.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 71.25 111.137 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -62.89 -45.3 93.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 64.32 111.133 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 397' ' ' ILE . 25.0 mt -51.87 -38.43 56.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 73.43 110.914 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -76.81 -28.23 55.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 75.05 110.896 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -75.89 -35.94 59.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 71.01 110.895 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 0.896 HG22 HD11 ' B' ' 365' ' ' ILE . 35.9 pt -72.0 -4.65 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 75.44 111.146 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -37.68 56.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 64.01 110.832 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.05 24.39 8.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.873 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.608 ' CD1' HD13 ' B' ' 368' ' ' LEU . 1.7 t80 -82.55 117.97 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.04 110.889 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -172.54 149.39 2.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.932 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.6 p -79.51 133.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 43.23 111.138 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.2 t -67.42 169.88 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.859 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -72.3 -34.08 67.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.954 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . 0.433 HG13 HG13 ' A' ' 412' ' ' ILE . 5.2 p -53.16 -41.33 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 73.11 111.103 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.503 HD11 ' HB ' ' B' ' 370' ' ' VAL . 89.9 mt -73.71 -51.01 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.31 111.136 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 16.6 mtm -55.74 -33.6 64.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 65.12 110.854 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.16 -51.12 16.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 73.25 110.906 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.683 ' CB ' HD23 ' B' ' 377' ' ' LEU . 16.8 mttm -60.58 -40.1 90.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.942 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 87.2 p -55.11 -45.46 75.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.877 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 33.2 m -57.87 -49.2 77.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.02 111.094 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttp -51.75 -42.54 62.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 71.21 110.877 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.641 HD22 HD12 ' B' ' 380' ' ' LEU . 62.1 mt -74.3 -43.21 57.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.944 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -55.19 -53.86 50.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -58.49 -35.89 72.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 73.14 110.874 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -54.91 -51.1 67.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.877 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.607 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 90.4 m-85 -74.23 -38.4 63.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -58.61 -44.84 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 63.42 110.95 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -59.94 -36.07 76.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 44.24 110.855 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 37.8 mtm -76.3 -35.17 58.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.843 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -73.17 -36.68 66.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 65.35 110.873 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.3 pp -84.46 -35.43 23.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.947 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.508 ' N ' HD12 ' A' ' 428' ' ' LEU . 93.9 t 56.65 91.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 70.12 111.168 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -179.51 -95.58 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.729 . . . . 25.3 112.46 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -161.99 165.97 26.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.369 . . . . 75.24 110.883 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -96.4 36.52 3.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 64.41 112.477 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.58 -47.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 72.32 110.86 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.81 154.98 47.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 75.02 110.872 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 19.1 m -113.76 168.94 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 45.03 111.158 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.45 HG22 ' OG1' ' A' ' 437' ' ' THR . 44.9 mt -137.6 127.99 37.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 70.31 111.146 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.45 ' OG1' HG22 ' A' ' 436' ' ' ILE . 0.2 OUTLIER 54.0 -173.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 73.3 111.156 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.58 140.27 35.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.891 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.63 117.7 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 34.11 111.109 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -61.15 2.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 61.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -103.54 85.28 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 64.43 110.893 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -91.6 13.42 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.911 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 6.5 t -60.46 -49.68 76.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 75.3 110.867 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.44 -43.04 99.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 75.3 110.932 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -59.55 -56.0 27.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 72.32 111.121 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -36.3 83.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 72.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -66.46 -36.12 81.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 64.54 110.891 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.02 -36.97 51.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 53.15 110.839 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.13 -47.37 65.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.91 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -82.32 -39.0 23.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.822 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.64 -59.22 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 75.33 110.905 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -36.21 83.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 75.21 110.875 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.31 79.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 74.2 111.112 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -51.59 -37.75 51.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.898 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -58.67 6.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.862 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.7 m -154.34 -44.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 60.34 111.168 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 4.9 pttp 179.46 -175.24 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 72.51 110.922 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.96 145.53 2.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.859 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -177.97 102.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 44.03 110.906 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -152.65 -146.94 4.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 70.4 112.494 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -145.57 170.58 16.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 74.2 110.877 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -150.79 43.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.875 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 64.57 -165.84 31.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 54.43 112.448 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -29.63 23.44 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 72.11 112.316 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 29.0 t30 63.0 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 63.41 110.893 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -166.91 -61.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.884 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 65.2 110.919 179.889 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.931 0.396 . . . . 74.43 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.43 177.19 8.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 74.02 110.914 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -90.29 -173.04 3.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 50.42 111.116 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -166.57 166.83 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.44 111.067 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 30.9 p -150.2 108.44 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 61.04 110.92 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.0 104.76 4.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 74.35 110.892 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 56.85 35.62 26.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 65.14 111.13 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 28.9 p -70.42 -36.36 73.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 65.44 110.828 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -37.33 63.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.02 110.891 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.99 -36.21 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.885 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -68.24 -38.13 81.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 65.45 110.833 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -75.56 -36.93 60.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 64.45 110.883 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.522 HD22 ' HE1' ' B' ' 396' ' ' MET . 31.2 mt -71.71 -47.77 51.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 63.21 110.897 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -57.83 -30.48 65.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 64.41 110.957 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -76.92 -43.18 36.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.583 HG23 ' HB1' ' B' ' 376' ' ' ALA . 22.5 mt -61.82 -36.7 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 75.43 111.14 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -71.94 -50.51 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.826 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.16 93.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 75.04 111.072 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -54.66 -45.14 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.403 HG23 ' SG ' ' B' ' 373' ' ' CYS . 35.8 mt -66.2 -33.28 62.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 62.43 111.147 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -52.15 66.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.885 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -71.61 -26.87 62.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.4 m -76.14 -28.8 57.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 71.21 110.849 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 39.3 mt -94.58 26.53 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 45.15 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.77 169.77 9.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.892 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 0.896 HD11 HG22 ' A' ' 403' ' ' ILE . 4.5 tp -84.8 -39.12 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.33 111.138 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -90.3 -33.35 16.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.842 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -107.91 36.76 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 65.1 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.608 HD13 ' CD1' ' A' ' 406' ' ' PHE . 12.5 tp -56.68 107.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 73.24 110.9 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -135.16 78.74 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.857 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.503 ' HB ' HD11 ' A' ' 412' ' ' ILE . 4.9 m -52.84 -27.79 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 64.02 111.13 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.69 -38.69 56.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.87 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -76.1 -35.56 59.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 64.21 110.832 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.403 ' SG ' HG23 ' B' ' 359' ' ' ILE . 14.1 t -53.46 -59.16 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 61.02 110.886 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.402 HD12 ' O ' ' B' ' 370' ' ' VAL . 3.1 mt -53.34 -46.1 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 64.33 111.147 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.81 -35.86 45.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 75.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.583 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.83 -50.8 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 73.15 111.142 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . 0.683 HD23 ' CB ' ' A' ' 415' ' ' LYS . 2.9 mp -52.24 -35.47 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.913 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.78 -48.99 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 54.03 110.863 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -59.08 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 62.51 110.861 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.641 HD12 HD22 ' A' ' 419' ' ' LEU . 1.5 tm? -52.05 -39.66 59.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.927 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.32 77.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 71.22 111.118 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 23.0 t -76.05 -35.78 59.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 63.33 110.821 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.59 110.19 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 71.02 110.889 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -77.65 60.02 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 65.43 110.931 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.39 138.89 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 70.11 111.115 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -93.64 171.97 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 45.24 111.105 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -35.69 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 75.31 110.863 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.45 -59.06 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.923 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.34 -36.29 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.47 -46.46 88.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 62.03 111.092 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -51.97 -35.81 47.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 71.43 110.925 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -35.84 65.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 54.25 110.905 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -96.05 35.59 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.828 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.49 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.7 OUTLIER -53.11 -35.5 59.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 54.13 111.133 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.94 -39.67 82.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 74.34 110.859 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . 0.522 ' HE1' HD22 ' B' ' 352' ' ' LEU . 43.0 ttp -58.51 -47.08 85.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.871 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.737 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.1 mt -62.92 -40.01 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.44 111.166 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 9.1 m -54.36 -40.34 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 55.43 111.153 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.7 m -68.11 -42.69 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 71.54 111.124 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' B' ' 397' ' ' ILE . 45.8 mt -51.15 -39.84 57.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 75.11 110.877 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -76.02 -28.52 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 60.31 110.869 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -74.81 -36.04 62.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 72.14 110.894 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.886 HG22 HD11 ' A' ' 365' ' ' ILE . 34.1 pt -73.51 -2.49 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 52.0 111.138 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -38.73 31.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.35 110.885 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.39 26.04 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 65.42 110.858 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.466 ' CD2' HD13 ' A' ' 368' ' ' LEU . 0.0 OUTLIER -87.47 122.26 30.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 70.24 110.861 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -175.1 154.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 62.2 110.877 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.429 HG13 ' CE2' ' A' ' 406' ' ' PHE . 17.0 m -82.6 133.27 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 71.22 111.145 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 38.8 t -66.28 169.43 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 64.22 110.868 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.17 -33.95 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 73.33 110.952 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.5 p -53.66 -41.65 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.1 111.093 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.641 HD11 ' HB ' ' A' ' 370' ' ' VAL . 86.9 mt -70.73 -51.4 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.088 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 16.1 mtm -58.26 -32.05 68.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.859 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.14 -53.47 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.903 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . 0.63 ' CB ' HD23 ' A' ' 377' ' ' LEU . 16.7 mttm -58.82 -38.71 79.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.883 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 83.3 p -55.35 -51.27 67.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 61.13 110.849 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 28.7 m -53.81 -48.55 69.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 52.43 111.149 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 23.5 ttp -51.11 -42.8 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.854 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.632 HD22 HD12 ' A' ' 380' ' ' LEU . 61.9 mt -74.46 -46.67 38.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 43.52 110.905 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -52.52 -53.9 39.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.05 110.925 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -58.03 -37.73 74.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 72.53 110.878 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -54.34 -51.67 64.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.93 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 22.5 m-85 -75.16 -36.06 61.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 54.34 110.865 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -59.31 -43.46 92.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 71.03 110.856 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -61.79 -35.01 76.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 62.42 110.902 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.1 mtm -76.09 -35.08 59.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.875 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -72.88 -36.96 67.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.888 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.518 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.4 pp -84.44 -34.92 23.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 72.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.518 ' N ' HD12 ' B' ' 428' ' ' LEU . 93.4 t 56.64 91.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 74.44 111.129 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -179.52 -95.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 42.01 112.495 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -162.23 166.07 25.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 62.22 110.913 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -96.39 36.55 3.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 64.44 112.441 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.42 -47.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.832 0.349 . . . . 74.12 110.846 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.72 154.93 47.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 63.33 110.866 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 19.2 m -113.66 169.19 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 65.41 111.138 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.451 HG22 ' OG1' ' B' ' 437' ' ' THR . 44.8 mt -137.74 128.04 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 70.25 111.13 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.451 ' OG1' HG22 ' B' ' 436' ' ' ILE . 0.2 OUTLIER 53.89 -173.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.13 111.129 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.57 140.21 35.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 54.42 110.927 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 43.5 t -69.71 117.54 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 74.11 111.143 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.67 -60.73 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 73.25 110.924 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -103.57 85.47 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 71.33 110.866 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.437 ' HG3' ' HB3' ' B' ' 445' ' ' ALA . 7.5 tttt -92.23 13.33 19.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.887 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 6.3 t -60.52 -49.56 77.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 55.1 110.829 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.76 -42.58 99.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 73.22 110.937 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . 0.437 ' HB3' ' HG3' ' B' ' 442' ' ' LYS . . . -59.72 -55.72 30.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.51 111.125 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -36.22 83.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.867 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -66.61 -36.13 81.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 75.01 110.949 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -36.3 54.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.873 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.41 -47.38 66.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.928 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -82.63 -39.06 22.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 65.3 110.862 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -53.87 -58.95 5.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 75.43 110.884 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.49 -36.13 82.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 65.55 110.905 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -62.02 -34.94 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 64.13 111.086 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -51.84 -39.7 59.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 73.42 110.848 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -73.46 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 72.25 110.868 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 15.0 m -140.83 66.66 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 63.12 111.133 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 6.2 pttp 45.74 -164.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 73.2 110.898 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.41 157.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.44 110.868 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -177.73 105.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 60.35 110.903 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -152.91 -148.46 4.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.681 -0.771 . . . . 71.53 112.43 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -144.29 173.01 12.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 72.41 110.883 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -147.35 36.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 72.34 110.874 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 55.09 -178.9 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 65.23 112.514 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 75.18 1.23 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.713 2.275 . . . . 74.05 112.357 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -49.83 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 71.54 110.907 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -159.49 -63.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.865 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 61.23 110.883 179.878 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.863 0.363 . . . . 74.34 110.848 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -48.89 125.08 9.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 73.04 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . 62.4 165.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 50.24 111.078 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -178.32 176.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 74.12 111.101 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.72 154.71 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.0 110.903 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -134.27 154.94 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.861 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 63.42 101.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 73.11 111.136 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 60.1 p -63.09 -47.39 83.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 60.3 110.847 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.5 tpt -54.55 -36.89 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 71.15 110.931 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.25 -41.36 63.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.855 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 72.6 m -63.32 -37.96 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.875 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.404 HH11 HD22 ' A' ' 383' ' ' LEU . 9.6 ptp180 -76.49 -33.74 58.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.829 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.529 HD22 ' CE ' ' A' ' 396' ' ' MET . 15.6 mt -75.34 -33.32 61.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.916 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -33.05 70.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.91 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -78.87 -37.68 39.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 75.43 110.847 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 45.6 mt -64.32 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.14 111.095 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -72.16 -39.75 68.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.916 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.7 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 63.02 111.072 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.94 -38.61 67.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 64.34 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.592 HG22 HD12 ' A' ' 363' ' ' LEU . 53.2 mt -68.58 -34.4 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.166 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -60.7 -44.48 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 71.35 110.931 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -75.62 -31.3 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 61.12 110.927 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 23.1 p -81.32 -1.03 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 73.51 110.858 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.592 HD12 HG22 ' A' ' 359' ' ' ILE . 26.5 mt -121.29 26.32 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 63.44 110.886 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -72.45 170.08 15.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 73.13 110.883 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 1.031 HD11 HG22 ' B' ' 403' ' ' ILE . 6.3 tp -84.0 -37.66 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 75.13 111.118 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -93.56 -29.97 15.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.882 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -112.44 36.26 3.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 65.54 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.721 HD13 ' CE1' ' B' ' 406' ' ' PHE . 20.8 tp -53.36 107.3 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 61.41 110.954 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -127.81 69.89 1.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.15 110.819 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.584 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.1 m -51.64 -30.0 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 73.32 111.151 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -52.16 -40.78 61.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 71.21 110.867 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -75.8 -33.65 60.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.87 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.426 ' SG ' HG23 ' A' ' 359' ' ' ILE . 48.6 t -53.13 -51.02 63.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 70.04 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -61.71 -46.76 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 55.44 111.185 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -52.02 -34.71 44.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.841 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.76 -54.25 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.24 111.089 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.9 mt -52.57 -36.99 57.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 72.3 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.63 -49.04 77.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 44.25 110.877 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.54 -41.01 98.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 34.12 110.888 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.656 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.5 tm? -54.67 -37.33 65.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 52.31 110.899 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.545 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -73.99 -34.74 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 53.33 111.137 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -36.85 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.843 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.404 HD22 HH11 ' A' ' 351' ' ' ARG . 49.1 mt -64.94 111.93 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 63.21 110.919 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.81 76.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.925 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -88.27 144.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 44.12 111.126 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -101.72 173.85 6.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 72.12 111.192 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -38.3 79.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.23 110.882 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -51.93 -59.27 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 70.25 110.865 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -67.58 -35.98 80.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.873 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.4 78.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 73.34 111.08 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.8 -36.01 46.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.926 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -72.45 -34.75 67.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 71.12 110.874 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -95.39 35.67 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 70.14 110.85 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.525 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.1 OUTLIER -52.41 -35.32 51.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 63.35 111.147 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -60.85 -48.21 82.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 65.31 110.89 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.529 ' CE ' HD22 ' A' ' 352' ' ' LEU . 47.5 ttp -55.37 -39.99 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.902 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.775 ' HA ' HD12 ' A' ' 400' ' ' LEU . 4.6 mt -70.05 -37.96 73.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 64.34 111.122 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 11.6 m -62.61 -43.09 99.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 71.25 111.162 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 87.2 m -62.2 -34.72 76.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 64.32 111.143 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 397' ' ' ILE . 43.4 mt -58.16 -36.61 73.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.921 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -75.97 -28.97 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 75.05 110.893 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -74.61 -35.35 62.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 71.01 110.876 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.09 HG22 HD11 ' B' ' 365' ' ' ILE . 34.7 pt -74.61 -1.24 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.44 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -32.29 29.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.862 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -20.24 7.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.845 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -41.28 121.34 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 75.04 110.868 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.6 130.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 74.21 110.905 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.506 HG13 ' HE2' ' B' ' 406' ' ' PHE . 7.7 m -61.2 131.34 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 43.23 111.135 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 34.9 t -66.65 166.3 13.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.858 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.23 -36.54 83.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.949 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.5 p -54.04 -39.86 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 73.11 111.114 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.778 HD11 ' HB ' ' B' ' 370' ' ' VAL . 93.3 mt -69.24 -47.25 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.31 111.112 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.9 mtm -64.4 -32.77 74.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 65.12 110.886 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -53.75 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.897 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -60.69 -39.33 88.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.909 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . 0.417 ' HB2' HD11 ' B' ' 403' ' ' ILE . 55.8 p -54.95 -48.88 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.853 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 31.3 m -56.02 -49.48 73.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 73.02 111.185 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.4 ttp -50.58 -44.26 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.888 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.62 HD13 HD12 ' B' ' 380' ' ' LEU . 59.3 mt -74.32 -39.39 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 71.2 110.914 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -60.07 -60.26 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.959 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -58.94 -35.06 72.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.915 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -54.85 -53.71 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.863 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.486 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 22.0 m-85 -69.68 -37.91 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -55.54 -44.51 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 63.42 110.86 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -56.3 -35.22 67.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 44.24 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 19.5 mtm -75.42 -34.98 61.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.841 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -71.62 -36.98 70.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 65.35 110.844 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.1 pp -84.63 -35.15 22.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.904 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.463 ' N ' HD12 ' A' ' 428' ' ' LEU . 97.3 t 57.88 90.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 70.12 111.127 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 173.62 125.28 0.83 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 25.3 112.533 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.41 138.13 56.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 75.24 110.848 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 178.75 35.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 64.41 112.507 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.32 -179.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 72.32 110.863 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.31 114.91 22.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.842 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 18.9 m -150.61 -179.66 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 45.03 111.072 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.491 HD12 ' OG1' ' A' ' 437' ' ' THR . 1.1 pt -119.81 165.22 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 70.31 111.12 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.491 ' OG1' HD12 ' A' ' 436' ' ' ILE . 0.6 OUTLIER 64.15 43.93 4.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 73.3 111.138 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.04 136.63 37.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.91 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 19.7 m -87.54 150.7 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 34.11 111.094 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.16 -46.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 61.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -58.2 174.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 64.43 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -115.9 -67.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.897 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 1.5 t -63.23 -50.89 68.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 75.3 110.895 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.1 -36.02 79.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 75.3 110.934 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.71 -35.31 42.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 72.32 111.117 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.27 -37.85 71.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -60.86 -55.93 27.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 64.54 110.937 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -58.05 -36.8 73.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 53.15 110.885 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . 0.524 ' O ' ' HB2' ' A' ' 453' ' ' ALA . 0.0 OUTLIER -51.92 -47.08 64.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.936 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -82.63 -45.1 14.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 75.51 110.851 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -52.13 -59.28 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.884 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -36.06 82.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.946 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 449' ' ' GLN . . . -51.89 -36.0 47.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.2 111.113 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -45.46 72.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.858 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.13 102.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.891 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.42 117.49 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 60.34 111.139 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.17 104.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.51 110.903 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -99.22 159.33 15.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.837 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -116.21 177.49 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 44.03 110.872 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 135.02 102.74 0.72 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 70.4 112.501 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -152.62 117.37 5.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.832 0.349 . . . . 74.2 110.944 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 tttm 52.57 -170.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 65.12 110.943 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 138.12 -175.04 21.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 54.43 112.499 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 124.02 10.69 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.266 . . . . 72.11 112.38 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -105.17 93.99 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 63.41 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.42 -59.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.901 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 65.2 110.895 179.879 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.844 0.354 . . . . 74.43 110.823 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 55.09 93.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.927 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . 63.47 165.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 50.42 111.115 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -177.3 178.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.065 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.49 155.24 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 61.04 110.87 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -133.53 155.26 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.91 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 63.72 102.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 65.14 111.097 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 59.6 p -64.31 -48.84 74.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 65.44 110.865 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.6 tpt -53.52 -36.79 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.862 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -73.43 -40.49 64.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.863 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 72.5 m -64.05 -37.52 87.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 65.45 110.904 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -76.74 -33.94 58.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 64.45 110.844 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.4 -34.76 61.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 63.21 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.68 -33.56 72.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 64.41 110.902 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -78.44 -37.4 43.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 71.42 110.849 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 48.5 mt -65.74 -39.82 85.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 75.43 111.165 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -71.85 -39.63 69.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.894 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.37 78.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 75.04 111.096 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.19 -38.92 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.45 110.864 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.599 HG22 HD12 ' B' ' 363' ' ' LEU . 53.8 mt -67.76 -34.62 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 62.43 111.167 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -61.6 -43.46 98.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.869 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -75.72 -32.13 59.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.2 110.89 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 30.6 p -81.37 -0.82 42.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 71.21 110.871 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.599 HD12 HG22 ' B' ' 359' ' ' ILE . 26.2 mt -120.58 26.16 9.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 45.15 110.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.69 170.45 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.922 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.09 HD11 HG22 ' A' ' 403' ' ' ILE . 5.8 tp -84.32 -38.32 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.11 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -92.59 -31.63 15.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.846 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -111.0 36.33 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 65.1 110.88 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.0 tp -53.42 107.37 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.949 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -127.1 70.3 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.87 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.778 ' HB ' HD11 ' A' ' 412' ' ' ILE . 15.7 m -51.84 -30.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 64.02 111.103 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -52.06 -40.61 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.921 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -75.76 -34.17 60.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 64.21 110.878 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.431 ' SG ' HG23 ' B' ' 359' ' ' ILE . 48.4 t -53.15 -50.94 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 61.02 110.895 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -61.22 -45.84 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 64.33 111.077 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -51.92 -35.93 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.56 -52.74 9.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 73.15 111.087 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 14.5 mt -52.22 -35.49 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 72.3 110.923 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.2 -49.17 78.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 54.03 110.849 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -45.09 95.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 62.51 110.89 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.667 HD13 ' O ' ' B' ' 380' ' ' LEU . 2.4 tm? -52.44 -36.42 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.938 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . 0.451 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -73.74 -34.59 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 71.22 111.101 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.03 -36.24 64.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 63.33 110.835 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.84 112.93 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 71.02 110.931 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -75.11 75.54 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 65.43 110.915 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.7 p -87.61 144.15 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 70.11 111.171 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -101.7 173.79 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 45.24 111.173 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -38.39 80.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 75.31 110.888 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -51.95 -59.2 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -67.2 -36.1 81.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.12 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.87 76.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 62.03 111.069 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -51.91 -35.98 47.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 71.43 110.902 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -71.78 -34.96 69.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 54.25 110.877 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -94.97 35.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 74.34 110.858 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.659 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.1 OUTLIER -51.51 -35.45 40.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 54.13 111.143 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.07 -49.01 79.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.901 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . 0.548 ' HE3' HD21 ' B' ' 380' ' ' LEU . 47.0 ttp -55.39 -40.66 71.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.743 ' HA ' HD12 ' B' ' 400' ' ' LEU . 4.5 mt -66.72 -40.79 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 71.44 111.159 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 12.4 m -62.24 -44.47 96.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 55.43 111.155 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.4 m -59.5 -37.19 77.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 71.54 111.15 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' B' ' 397' ' ' ILE . 23.1 mt -58.53 -35.71 72.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.927 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -76.7 -28.75 55.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 60.31 110.883 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -74.91 -33.99 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.88 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 1.031 HG22 HD11 ' A' ' 365' ' ' ILE . 33.5 pt -75.38 -1.73 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 52.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -34.65 54.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 71.35 110.856 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.66 -14.19 8.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 65.42 110.855 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.721 ' CE1' HD13 ' A' ' 368' ' ' LEU . 5.6 t80 -45.19 113.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 70.24 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.69 133.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 62.2 110.931 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.406 HG22 ' O ' ' B' ' 409' ' ' SER . 2.5 p -59.54 135.49 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 71.22 111.127 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . 0.406 ' O ' HG22 ' B' ' 408' ' ' VAL . 36.5 t -72.58 170.68 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 64.22 110.846 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -71.02 -34.79 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.897 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.42 -41.9 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.1 111.106 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.584 HD11 ' HB ' ' A' ' 370' ' ' VAL . 47.6 mt -73.18 -49.87 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 71.34 111.089 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.1 mtm -55.86 -31.92 63.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.86 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -74.2 -53.4 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -59.3 -39.68 83.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.941 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 97.2 p -56.37 -43.54 79.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 61.13 110.83 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 12.8 m -58.79 -53.98 52.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 52.43 111.137 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.4 ttp -49.15 -41.89 37.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.879 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.579 HD13 HD12 ' A' ' 380' ' ' LEU . 60.4 mt -75.33 -34.74 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 43.52 110.926 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -61.46 -62.69 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.05 110.941 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -59.97 -32.17 70.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.53 110.889 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -53.09 -48.78 67.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 71.45 110.912 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -75.47 -40.92 56.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 54.34 110.907 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . 0.449 ' HG3' HD12 ' B' ' 444' ' ' LEU . 1.1 ttpm? -53.37 -47.7 69.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 71.03 110.921 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -52.01 -35.74 47.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 62.42 110.936 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 19.6 mtm -76.28 -35.38 58.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 74.43 110.886 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -71.53 -35.97 70.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 71.21 110.854 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.441 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.0 pp -85.74 -35.16 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.441 ' N ' HD12 ' B' ' 428' ' ' LEU . 97.6 t 57.95 93.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.159 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 171.95 125.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.701 -0.761 . . . . 42.01 112.46 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.03 138.28 55.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 62.22 110.903 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 178.76 35.55 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 64.44 112.482 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.06 -179.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.779 0.323 . . . . 74.12 110.873 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.41 114.92 22.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 63.33 110.836 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 19.0 m -150.64 -179.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 65.41 111.176 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.488 HD12 ' OG1' ' B' ' 437' ' ' THR . 1.1 pt -119.66 164.83 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 70.25 111.149 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.488 ' OG1' HD12 ' B' ' 436' ' ' ILE . 0.6 OUTLIER 64.29 43.91 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.13 111.146 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.07 136.63 36.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 54.42 110.896 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 19.6 m -87.47 150.8 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.11 111.172 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.13 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.911 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.22 174.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.841 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -116.01 -67.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.91 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 1.5 t -63.76 -50.42 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 55.1 110.851 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . 0.449 HD12 ' HG3' ' B' ' 424' ' ' LYS . 80.7 mt -68.74 -35.9 77.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.932 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.59 -35.78 42.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 72.51 111.134 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.13 -35.92 66.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.896 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.03 -48.39 80.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 75.01 110.927 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -66.22 -36.26 82.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' B' ' 453' ' ' ALA . 0.0 OUTLIER -52.05 -46.13 64.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.918 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -82.65 -45.6 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 65.3 110.865 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -52.06 -58.95 5.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.919 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -36.1 82.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 65.55 110.871 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' B' ' 449' ' ' GLN . . . -51.84 -36.45 48.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 64.13 111.087 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -45.6 70.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.868 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.0 102.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.867 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.77 117.73 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 63.12 111.139 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.13 104.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 73.2 110.906 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -99.16 159.44 14.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 72.44 110.838 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -116.35 177.44 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 60.35 110.932 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 135.01 102.81 0.73 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 71.53 112.504 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -152.63 117.44 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 72.41 110.859 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 tttm 52.45 -170.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 72.34 110.9 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 138.07 -175.06 21.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 65.23 112.471 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 124.22 10.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 74.05 112.315 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -105.24 94.08 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 71.54 110.883 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.4 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.33 110.886 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 61.23 110.891 179.849 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 93.8 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.898 0.38 . . . . 74.34 110.849 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 342' ' ' ALA . 0.7 OUTLIER 63.35 -169.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 73.04 110.905 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 343' ' ' ALA . . . 67.48 118.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 50.24 111.15 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 342' ' ' ALA . . . 67.88 137.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.098 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.35 50.1 3.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.888 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -106.08 148.95 27.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 71.32 110.868 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.16 110.0 7.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 73.11 111.083 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -47.33 62.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 60.3 110.865 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 7.4 tpt -61.59 -41.07 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.15 110.88 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.76 -35.63 65.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 75.24 110.883 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 36.7 t -71.31 -38.68 71.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 64.41 110.833 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -74.7 -33.99 62.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 74.54 110.867 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.583 HD23 HD12 ' A' ' 355' ' ' ILE . 12.9 mt -71.21 -47.51 56.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.976 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -56.49 -27.93 58.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.883 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -74.49 -35.93 63.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.895 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.583 HD12 HD23 ' A' ' 352' ' ' LEU . 53.0 mt -64.46 -42.82 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 73.14 111.109 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -71.93 -38.14 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.86 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.85 -44.69 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 63.02 111.078 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -55.05 -54.29 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 64.34 110.882 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.51 HG22 HD12 ' A' ' 363' ' ' LEU . 56.0 mt -55.77 -34.75 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.32 111.14 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -58.76 -49.23 78.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 71.35 110.886 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -74.85 -29.42 61.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 61.12 110.894 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 3.7 p -79.95 -1.08 37.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.832 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.51 HD12 HG22 ' A' ' 359' ' ' ILE . 36.7 mt -121.14 26.06 9.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 63.44 110.89 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 169.96 13.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 73.13 110.944 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 1.083 HD11 HG22 ' B' ' 403' ' ' ILE . 6.1 tp -84.62 -40.64 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 75.13 111.105 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.421 ' N ' HG23 ' A' ' 365' ' ' ILE . 7.2 p-10 -90.7 -32.74 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.864 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.2 36.56 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 65.54 110.9 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.567 HD13 ' CE1' ' B' ' 406' ' ' PHE . 16.5 tp -53.06 107.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 61.41 110.94 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -125.33 70.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 74.15 110.813 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.662 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.2 m -55.48 -29.94 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 73.32 111.139 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -52.06 -37.59 54.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.928 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -33.18 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.846 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.403 ' SG ' HG23 ' A' ' 359' ' ' ILE . 30.1 t -53.32 -55.37 25.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 70.04 110.905 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.29 -46.21 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 55.44 111.133 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.2 -34.68 64.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 74.11 110.947 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.457 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -73.77 -52.21 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.121 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 18.8 mt -52.03 -36.01 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 72.3 110.928 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -59.84 -49.18 78.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 44.25 110.868 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -58.9 -51.01 71.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 34.12 110.866 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.661 HD12 HD12 ' B' ' 419' ' ' LEU . 1.0 OUTLIER -51.67 -46.74 63.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 52.31 110.88 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.28 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 53.33 111.118 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -76.52 -35.61 58.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.852 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.77 117.16 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 63.21 110.935 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -84.11 54.82 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.02 110.932 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' A' ' 389' ' ' GLN . 6.1 p -67.06 137.79 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 44.12 111.165 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -95.3 172.58 8.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.134 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 13.4 tpt -52.69 -37.87 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.913 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -52.25 -59.18 4.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 70.25 110.922 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . 0.438 ' CB ' HG23 ' A' ' 385' ' ' VAL . 0.1 OUTLIER -70.79 -36.08 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 70.44 110.923 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.36 -51.19 67.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 73.34 111.135 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -52.89 -42.41 65.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.933 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -65.07 -35.64 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.911 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.421 ' CE1' HD12 ' A' ' 352' ' ' LEU . 80.6 m80 -95.31 35.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.14 110.834 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.675 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.2 OUTLIER -56.27 -40.8 74.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 63.35 111.144 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.46 -38.02 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 65.31 110.872 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.401 ' HE1' HD21 ' A' ' 380' ' ' LEU . 1.3 tmm? -64.75 -44.31 90.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.877 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.783 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.9 mt -63.25 -35.27 71.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 64.34 111.142 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 55.2 m -63.31 -47.94 80.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 71.25 111.168 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 95.6 m -56.06 -37.0 68.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 64.32 111.14 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 397' ' ' ILE . 24.5 mt -57.42 -35.01 69.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.88 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -28.86 54.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 75.05 110.883 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -75.88 -33.98 59.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 71.01 110.871 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.003 HG22 HD11 ' B' ' 365' ' ' ILE . 39.3 pt -74.37 -1.68 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 75.44 111.136 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -79.62 -34.19 40.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 64.01 110.854 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.59 -19.29 8.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.871 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.525 ' CE1' HG13 ' B' ' 408' ' ' VAL . 0.8 OUTLIER -41.34 114.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 75.04 110.868 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.408 ' HD2' ' HD2' ' B' ' 407' ' ' LYS . 6.9 ttpp -177.53 133.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 74.21 110.883 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.578 HG13 ' HE2' ' B' ' 406' ' ' PHE . 2.8 m -56.98 142.5 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 43.23 111.129 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.91 166.15 23.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.866 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -35.3 78.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.893 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 23.4 t -56.1 -50.32 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.11 111.157 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.677 HD11 ' HB ' ' B' ' 370' ' ' VAL . 84.2 mt -60.79 -53.09 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.125 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 31.7 mtm -56.76 -32.5 65.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 65.12 110.868 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -74.47 -53.49 9.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 73.25 110.913 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -58.86 -40.02 83.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.923 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 91.4 p -55.05 -48.52 73.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 52.2 m -53.94 -50.61 66.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 73.02 111.184 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -48.93 -50.32 35.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 71.21 110.876 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' B' ' 380' ' ' LEU . 9.2 mp -69.35 -34.77 75.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 71.2 110.912 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -59.23 -62.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.895 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -62.28 -30.79 71.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 73.14 110.876 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -53.95 -51.09 64.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.891 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 45.0 m-85 -75.63 -35.65 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 74.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.88 -44.29 63.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 63.42 110.862 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -60.23 -35.73 76.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 44.24 110.861 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 5.8 mtm -77.7 -34.67 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.836 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -73.18 -35.88 66.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 65.35 110.873 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.475 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.3 pp -85.3 -35.67 21.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 74.31 110.941 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.475 ' N ' HD12 ' A' ' 428' ' ' LEU . 99.2 t 56.61 86.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 70.12 111.147 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 61.69 -95.35 0.1 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 25.3 112.495 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -149.86 179.38 8.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.925 0.393 . . . . 75.24 110.862 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -111.26 -123.68 4.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 64.41 112.522 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.05 168.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.842 0.353 . . . . 72.32 110.868 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 1.5 m -137.63 60.92 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 75.02 110.826 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.86 66.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 45.03 111.092 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 15.9 mt 69.68 -72.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 70.31 111.107 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 17.2 p -49.94 148.57 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 73.3 111.139 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.82 141.88 46.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.926 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 14.9 m -102.46 177.26 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 34.11 111.099 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.29 -41.0 1.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 61.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -169.32 175.03 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 64.43 110.913 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -116.12 -68.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.884 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -55.1 19.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 75.3 110.83 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.3 -34.67 78.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 75.3 110.92 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.39 -35.03 37.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 72.32 111.131 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -54.95 -60.78 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 72.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -40.07 77.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 64.54 110.9 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -52.03 -32.82 35.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 53.15 110.89 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 453' ' ' ALA . 2.0 mt-30 -51.33 -55.59 17.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.955 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -82.8 -45.6 14.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 75.51 110.877 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -51.18 -59.32 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 75.33 110.888 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.15 -35.94 82.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 75.21 110.889 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 449' ' ' GLN . . . -51.63 -36.08 44.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 74.2 111.154 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.49 -36.51 22.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 74.14 110.903 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -170.04 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.14 110.914 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 2.1 t -172.72 72.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 60.34 111.109 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.28 164.8 28.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 72.51 110.888 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -88.83 -170.64 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 75.11 110.854 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -142.16 -73.93 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 44.03 110.946 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 58.05 -126.5 42.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 70.4 112.485 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.07 104.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 74.2 110.943 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.8 tttm 62.72 164.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 65.12 110.903 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 170.56 74.57 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 54.43 112.494 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 167.27 24.9 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.659 2.239 . . . . 72.11 112.328 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -75.32 179.01 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.903 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -110.71 43.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 73.41 110.925 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 65.2 110.952 179.844 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.855 0.359 . . . . 74.43 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.37 99.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 74.02 110.9 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . 179.78 34.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 50.42 111.077 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . 179.59 129.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 75.44 111.115 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 53.78 56.01 7.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 61.04 110.894 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -88.09 154.6 20.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 74.35 110.89 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.06 108.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 65.14 111.129 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -47.6 58.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 65.44 110.825 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 7.5 tpt -60.81 -40.89 94.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.02 110.854 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -73.43 -36.15 65.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.847 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 36.5 t -70.59 -39.5 73.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 65.45 110.843 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -74.28 -34.11 63.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 64.45 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' B' ' 352' ' ' LEU . 12.8 mt -71.1 -47.85 55.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 63.21 110.926 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -57.32 -28.56 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 64.41 110.925 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -71.73 -38.35 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 71.42 110.842 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.699 HG23 ' HB1' ' B' ' 376' ' ' ALA . 88.9 mt -65.13 -40.12 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.43 111.108 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -71.34 -38.52 71.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.904 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -72.02 -43.0 65.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.04 111.13 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -55.3 -54.15 47.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.914 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.528 HG22 HD12 ' B' ' 363' ' ' LEU . 56.1 mt -55.22 -35.29 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 62.43 111.131 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -59.78 -46.11 90.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.844 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -75.94 -29.61 58.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.886 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -81.19 -0.84 42.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 71.21 110.89 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.528 HD12 HG22 ' B' ' 359' ' ' ILE . 40.1 mt -121.45 26.49 8.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 45.15 110.904 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 171.66 10.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.841 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.003 HD11 HG22 ' A' ' 403' ' ' ILE . 5.5 tp -84.43 -42.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.153 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.449 ' N ' HG23 ' B' ' 365' ' ' ILE . 7.2 p-10 -90.81 -32.32 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.852 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.11 36.18 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 65.1 110.879 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.6 107.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.904 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -126.84 70.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.837 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.677 ' HB ' HD11 ' A' ' 412' ' ' ILE . 6.3 m -56.11 -29.51 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 64.02 111.146 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -52.09 -38.05 56.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.84 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -32.81 60.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 64.21 110.876 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.436 ' SG ' HG23 ' B' ' 359' ' ' ILE . 34.1 t -53.09 -55.03 27.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 61.02 110.875 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.61 -44.95 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 64.33 111.113 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.79 -35.54 63.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 75.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.699 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -73.6 -50.82 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 73.15 111.067 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.29 -36.05 51.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 72.3 110.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.75 -49.17 78.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 54.03 110.825 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.03 -50.79 72.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 62.51 110.913 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 423' ' ' PHE . 0.9 OUTLIER -52.13 -49.8 62.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.928 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.84 -34.56 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.22 111.085 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -76.53 -35.5 58.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 63.33 110.832 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.47 117.1 6.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 71.02 110.925 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -84.5 54.7 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 65.43 110.894 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . 0.434 HG23 ' CB ' ' B' ' 389' ' ' GLN . 5.9 p -66.97 138.12 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 70.11 111.122 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -95.21 172.76 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 45.24 111.148 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 13.5 tpt -53.14 -37.6 61.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.858 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -52.44 -59.05 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.893 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . 0.434 ' CB ' HG23 ' B' ' 385' ' ' VAL . 0.1 OUTLIER -70.89 -36.48 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.91 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -54.97 -50.96 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 62.03 111.045 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -53.1 -41.19 64.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.923 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -65.68 -35.78 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 54.25 110.956 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -95.41 35.56 1.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.879 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.621 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.2 OUTLIER -55.31 -41.86 72.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 54.13 111.118 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.49 -36.14 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 74.34 110.837 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -65.43 -45.54 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.43 110.895 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.779 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.5 mt -62.44 -35.18 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 71.44 111.141 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 53.3 m -63.66 -47.52 80.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 55.43 111.175 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.4 m -56.58 -35.01 67.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 71.54 111.184 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' B' ' 397' ' ' ILE . 26.3 mt -59.99 -35.77 75.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.929 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -28.84 56.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 60.31 110.894 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -74.98 -35.33 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.876 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 1.083 HG22 HD11 ' A' ' 365' ' ' ILE . 33.6 pt -73.84 -1.6 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 52.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.08 -34.9 50.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.875 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.75 -16.93 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 65.42 110.862 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.578 ' HE2' HG13 ' A' ' 408' ' ' VAL . 1.2 t80 -43.54 116.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.896 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . 0.408 ' HD2' ' HD2' ' A' ' 407' ' ' LYS . 9.6 ttpp -179.26 139.36 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 62.2 110.965 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.525 HG13 ' CE1' ' A' ' 406' ' ' PHE . 2.9 m -59.17 146.86 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 71.22 111.118 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.1 165.85 20.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 64.22 110.823 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.34 -35.91 78.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.876 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.82 -50.69 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.098 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.662 HD11 ' HB ' ' A' ' 370' ' ' VAL . 80.9 mt -60.02 -51.11 76.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 71.34 111.172 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 31.9 mtm -57.17 -33.77 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.898 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -53.52 9.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.877 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -56.93 -40.07 75.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.869 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.0 p -54.72 -52.21 63.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 61.13 110.87 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 62.9 m -52.51 -44.27 65.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 52.43 111.177 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -51.95 -52.5 49.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.892 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.661 HD12 HD12 ' A' ' 380' ' ' LEU . 3.6 mm? -69.71 -37.88 76.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 43.52 110.895 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -57.94 -56.07 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 75.05 110.946 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -65.43 -34.51 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.836 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -54.4 -53.81 49.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.45 110.903 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.501 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 38.9 m-85 -69.85 -35.97 75.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 54.34 110.923 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -52.05 -44.13 64.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 71.03 110.87 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.03 -35.78 77.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 62.42 110.932 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 5.9 mtm -77.24 -33.97 55.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 74.43 110.879 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -74.13 -36.11 64.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 71.21 110.831 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.491 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.3 pp -85.01 -35.5 21.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 72.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.491 ' N ' HD12 ' B' ' 428' ' ' LEU . 95.9 t 55.55 84.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 74.44 111.133 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . 0.443 ' N ' HD12 ' B' ' 428' ' ' LEU . . . 63.21 -94.61 0.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.719 -0.753 . . . . 42.01 112.518 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -150.4 -179.2 7.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.886 0.374 . . . . 62.22 110.873 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -112.51 -122.66 4.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 64.44 112.479 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.14 169.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 74.12 110.853 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 1.5 m -131.88 35.56 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 63.33 110.866 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.41 ' O ' HG23 ' B' ' 435' ' ' VAL . 4.6 m -116.17 101.2 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 65.41 111.165 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.401 HG22 ' N ' ' B' ' 437' ' ' THR . 16.7 mt 65.66 155.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 70.25 111.149 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.401 ' N ' HG22 ' B' ' 436' ' ' ILE . 16.9 p -51.21 121.84 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.13 111.154 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -179.13 104.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 54.42 110.923 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 7.3 m -152.71 148.56 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 74.11 111.1 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.25 -74.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.09 175.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.888 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -116.35 -68.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.898 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -55.12 14.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 55.1 110.85 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.56 -34.53 78.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 73.22 110.875 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.56 -35.14 39.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.51 111.101 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.14 -60.8 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.879 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -40.48 78.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.902 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -51.79 -32.68 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 73.21 110.887 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' B' ' 453' ' ' ALA . 2.0 mt-30 -51.22 -56.19 14.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.909 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -82.79 -45.36 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 65.3 110.901 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -51.03 -59.5 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 75.43 110.833 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.36 -35.81 82.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 65.55 110.866 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' B' ' 449' ' ' GLN . . . -51.56 -36.3 44.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 64.13 111.066 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.03 -36.6 23.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 73.42 110.867 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.73 -170.02 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 72.25 110.864 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 2.1 t -172.62 72.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 63.12 111.145 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.04 164.5 28.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.898 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -88.55 -170.94 3.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 72.44 110.882 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -141.92 -73.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 60.35 110.888 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 58.02 -126.49 42.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 71.53 112.459 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.22 104.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 72.41 110.872 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 1.2 tttp 62.66 164.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 72.34 110.886 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 170.3 74.51 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 65.23 112.479 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 167.33 24.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.264 . . . . 74.05 112.316 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -75.26 179.4 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 71.54 110.86 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -111.09 43.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.918 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 61.23 110.894 179.863 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.893 0.378 . . . . 74.34 110.861 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -117.9 -60.76 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 73.04 110.875 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . 55.48 -170.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 50.24 111.083 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . 61.53 170.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.085 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 36.5 t -158.61 120.02 3.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 73.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.2 169.68 12.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 71.32 110.872 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 14.2 p 49.89 42.91 24.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 73.11 111.098 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 1.4 t -55.12 -44.82 75.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 60.3 110.831 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.1 tpt -54.57 -43.67 72.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 71.15 110.89 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.51 -35.86 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.849 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.9 t -63.8 -40.75 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 64.41 110.892 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -33.29 62.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 74.54 110.867 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.652 ' HA ' HD12 ' A' ' 355' ' ' ILE . 12.8 mt -70.87 -47.44 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.917 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -57.69 -27.94 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.869 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.95 -37.3 55.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.854 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 352' ' ' LEU . 20.9 mt -65.12 -40.08 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.14 111.125 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -71.96 -40.47 68.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.891 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.52 72.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 63.02 111.096 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.07 -51.14 67.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 64.34 110.856 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.571 HG22 HD12 ' A' ' 363' ' ' LEU . 50.1 mt -57.71 -34.89 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.32 111.126 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -61.12 -45.28 95.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 71.35 110.919 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -75.64 -28.0 58.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 61.12 110.871 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.1 p -84.61 -1.23 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 73.51 110.872 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.571 HD12 HG22 ' A' ' 359' ' ' ILE . 28.0 mt -121.69 26.26 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 63.44 110.901 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 170.87 12.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.13 110.938 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 1.054 HD11 HG22 ' B' ' 403' ' ' ILE . 6.2 tp -84.69 -38.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 75.13 111.155 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -93.0 -30.71 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.853 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -111.86 36.26 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 65.54 110.86 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.7 HD13 ' CE1' ' B' ' 406' ' ' PHE . 20.4 tp -53.67 107.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.866 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -127.11 70.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 74.15 110.9 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.663 ' HB ' HD11 ' B' ' 412' ' ' ILE . 5.5 m -53.12 -28.17 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 73.32 111.161 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -51.75 -41.01 61.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 71.21 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -75.8 -32.26 59.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.905 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.428 ' SG ' HG23 ' A' ' 359' ' ' ILE . 20.5 t -52.97 -60.34 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 70.04 110.911 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.4 mt -53.44 -44.74 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 55.44 111.157 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.21 -35.38 62.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.886 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.5 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.03 -51.17 12.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.037 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.75 HD23 HD12 ' B' ' 419' ' ' LEU . 2.2 mt -51.94 -35.69 46.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 72.3 110.922 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.53 -49.22 76.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 44.25 110.849 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.0 -45.85 86.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 34.12 110.912 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.594 HD11 ' HZ ' ' B' ' 423' ' ' PHE . 1.3 tm? -52.37 -47.63 66.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 52.31 110.904 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -59.89 -35.09 74.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 53.33 111.07 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -72.33 -35.95 68.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.863 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.78 108.26 3.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 63.21 110.891 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -77.72 59.83 2.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.02 110.924 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.62 137.42 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 44.12 111.119 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -91.91 173.01 8.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 72.12 111.113 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -38.44 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.877 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -54.37 -58.94 5.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 70.25 110.909 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.34 -35.63 78.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 70.44 110.956 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.43 89.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.34 111.119 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -51.69 -36.13 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 75.25 110.938 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -72.07 -35.02 69.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.12 110.925 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -95.29 35.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 70.14 110.841 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.477 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.2 OUTLIER -57.44 -35.56 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.35 111.11 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.3 -40.79 91.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 65.31 110.915 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.577 ' HE1' HD22 ' A' ' 352' ' ' LEU . 27.5 ttp -55.54 -43.6 75.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 74.31 110.91 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.614 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.0 mt -66.16 -39.19 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 64.34 111.111 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 20.8 m -54.03 -35.37 61.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 71.25 111.153 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.4 m -74.32 -40.62 62.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 64.32 111.15 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 397' ' ' ILE . 72.6 mt -51.46 -39.02 56.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 73.43 110.927 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -76.14 -29.29 57.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.05 110.881 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -74.67 -34.87 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 71.01 110.907 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.09 HG22 HD11 ' B' ' 365' ' ' ILE . 38.2 pt -74.93 -1.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.44 111.104 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -32.16 27.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 64.01 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.33 -20.63 8.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.44 110.9 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.442 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -41.24 120.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.853 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.54 135.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.941 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.13 131.98 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 43.23 111.13 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 1.8 m -64.38 166.14 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.819 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -64.48 -33.3 75.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.896 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.97 -39.16 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 73.11 111.112 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.799 HD11 ' HB ' ' B' ' 370' ' ' VAL . 83.7 mt -64.12 -51.63 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.31 111.126 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 23.0 ptp -66.09 -30.9 71.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 65.12 110.869 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.9 -50.52 48.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 73.25 110.872 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -65.4 -38.13 89.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.847 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . 0.428 ' HB2' HD11 ' B' ' 403' ' ' ILE . 54.8 p -54.99 -48.79 72.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 71.33 110.858 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 38.6 m -55.12 -48.28 73.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.02 111.16 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 2.2 ttp -51.82 -47.06 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 71.21 110.85 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.856 HD12 HD12 ' B' ' 380' ' ' LEU . 4.4 mm? -70.22 -43.68 70.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 71.2 110.886 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -52.15 -48.86 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.933 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.23 -35.55 80.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 73.14 110.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -53.33 -53.86 44.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.886 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.484 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 22.0 m-85 -75.63 -36.12 60.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 74.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -56.81 -40.51 76.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 63.42 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.53 -35.19 80.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 44.24 110.876 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 34.7 mtm -74.88 -35.28 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.872 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.509 ' CE2' HD13 ' B' ' 397' ' ' ILE . 22.5 m-85 -70.41 -37.0 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 65.35 110.889 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.5 pp -84.7 -34.7 22.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.943 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.535 ' N ' HD12 ' A' ' 428' ' ' LEU . 99.4 t 58.61 84.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 70.12 111.158 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -176.28 39.28 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 25.3 112.483 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.27 -40.9 62.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 75.24 110.926 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -133.78 33.09 2.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 64.41 112.491 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -164.56 35.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 72.32 110.879 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 31.4 p -70.17 -170.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.82 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.03 140.44 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 45.03 111.155 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 50.3 mt -50.1 -68.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 70.31 111.121 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -21.6 45.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.15 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 68.11 153.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 73.44 110.961 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 8.4 m -146.23 148.71 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 34.11 111.123 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 445' ' ' ALA . 4.1 mm? -81.89 77.42 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 61.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . 0.639 ' ND2' HD12 ' A' ' 444' ' ' LEU . 1.3 t-20 63.19 170.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 64.43 110.93 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -116.0 -68.13 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.878 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 75.6 m -62.15 -54.83 35.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.839 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . 0.639 HD12 ' ND2' ' A' ' 441' ' ' ASN . 35.2 mt -63.8 -33.85 76.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 75.3 110.961 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 440' ' ' LEU . . . -50.38 -33.55 20.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.32 111.101 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -54.96 -59.17 5.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 72.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -73.07 -42.77 62.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 64.54 110.893 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -35.4 45.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 53.15 110.865 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -51.83 -42.22 62.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.865 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . 0.434 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 0.0 OUTLIER -82.72 -49.47 9.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 75.51 110.843 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -51.63 -59.44 4.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.89 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.48 -36.01 73.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 75.21 110.923 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 450' ' ' HIS . . . -51.7 -35.61 43.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 74.2 111.058 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.9 -39.41 35.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 74.14 110.875 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -169.83 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.946 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.32 175.69 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 60.34 111.119 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.5 172.3 13.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.885 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.69 161.01 3.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.837 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -135.2 159.77 40.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 44.03 110.898 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -112.77 -129.97 5.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 70.4 112.446 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.93 131.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 74.2 110.951 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.58 -63.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 65.12 110.923 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 91.24 165.85 40.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 54.43 112.534 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 157.51 60.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 72.11 112.356 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -152.75 118.67 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 63.41 110.85 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.42 -172.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.921 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 2.2 tttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 65.2 110.91 179.847 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.893 0.378 . . . . 74.43 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -118.0 -60.63 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 74.02 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . 55.4 -169.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 50.42 111.073 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . 61.64 171.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 75.44 111.086 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 36.9 t -158.66 120.26 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 61.04 110.882 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.38 169.43 12.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.873 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 14.2 p 49.78 43.02 24.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 65.14 111.146 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 1.4 t -55.22 -45.69 75.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 65.44 110.82 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.1 tpt -53.09 -43.69 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.02 110.92 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.07 -36.7 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.83 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.9 t -62.53 -41.42 98.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 65.45 110.835 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.51 -33.68 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 64.45 110.885 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.729 ' HA ' HD12 ' B' ' 355' ' ' ILE . 14.3 mt -71.35 -47.74 54.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 63.21 110.922 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -58.12 -29.26 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 64.41 110.907 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.18 -37.51 61.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 71.42 110.839 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' B' ' 352' ' ' LEU . 14.2 mt -65.16 -39.29 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.43 111.095 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -71.64 -39.53 70.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.875 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.48 -42.25 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 75.04 111.137 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -55.21 -50.67 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 74.45 110.921 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.566 HG22 HD12 ' B' ' 363' ' ' LEU . 50.6 mt -57.55 -34.94 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 62.43 111.14 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -59.07 -51.34 70.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.875 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -70.63 -30.84 67.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 75.2 110.852 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 9.7 p -80.04 -2.4 44.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.889 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.566 HD12 HG22 ' B' ' 359' ' ' ILE . 27.8 mt -121.68 26.17 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 45.15 110.92 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -71.72 169.96 14.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.867 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.09 HD11 HG22 ' A' ' 403' ' ' ILE . 6.0 tp -84.11 -38.64 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.111 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -93.31 -30.82 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.842 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -112.01 36.31 3.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 65.1 110.865 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.6 tp -53.48 107.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -125.85 68.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.86 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.799 ' HB ' HD11 ' A' ' 412' ' ' ILE . 17.6 m -51.66 -29.85 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 64.02 111.131 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -52.05 -40.4 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.904 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -75.78 -32.48 59.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 64.21 110.891 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' B' ' 359' ' ' ILE . 22.4 t -52.98 -59.21 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 61.02 110.875 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.5 mt -53.6 -44.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 64.33 111.169 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.99 -36.45 60.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.627 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.93 -48.34 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.15 111.122 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 2.1 mt -52.2 -35.35 48.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 72.3 110.88 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -65.87 -49.05 69.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 54.03 110.868 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.22 -46.21 79.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.51 110.911 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.856 HD12 HD12 ' A' ' 419' ' ' LEU . 0.4 OUTLIER -52.47 -52.15 55.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.31 110.914 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.25 66.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 71.22 111.121 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.3 t -72.53 -36.81 68.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 63.33 110.847 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.8 mt -70.06 108.27 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.02 110.9 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -77.63 60.03 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 65.43 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.1 p -69.23 137.14 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 70.11 111.129 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -90.46 173.31 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 45.24 111.146 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -38.63 74.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.31 110.88 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -53.64 -58.02 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.935 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -69.32 -36.27 76.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.12 110.882 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.1 88.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 62.03 111.079 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -52.49 -36.17 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 71.43 110.888 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -71.08 -35.55 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 54.25 110.894 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -95.26 35.57 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.843 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.448 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.2 OUTLIER -56.37 -35.53 67.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 54.13 111.116 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.06 -40.85 86.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.917 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . 0.558 ' HE3' HD21 ' B' ' 380' ' ' LEU . 20.2 ttp -55.37 -47.64 75.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.85 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.616 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.8 mp -60.59 -41.18 86.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 71.44 111.125 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 23.9 m -54.08 -35.66 62.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 55.43 111.103 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.7 m -73.22 -43.11 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.54 111.154 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' B' ' 397' ' ' ILE . 46.4 mt -51.7 -38.26 54.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.935 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -76.77 -28.96 55.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 60.31 110.882 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -74.95 -33.98 62.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.904 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 1.054 HG22 HD11 ' A' ' 365' ' ' ILE . 35.9 pt -75.29 -2.17 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 52.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -34.23 55.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 71.35 110.89 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.53 -15.03 9.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 65.42 110.878 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.7 ' CE1' HD13 ' A' ' 368' ' ' LEU . 10.9 t80 -45.11 108.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 70.24 110.867 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.99 136.05 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 62.2 110.857 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 2.7 p -58.32 135.22 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 71.22 111.13 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 1.7 m -65.56 175.42 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 64.22 110.872 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -78.79 -33.0 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.932 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.24 -37.47 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.12 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.663 HD11 ' HB ' ' A' ' 370' ' ' VAL . 90.5 mt -65.97 -49.84 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 71.34 111.164 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 24.0 ptp -63.51 -33.15 74.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.13 110.859 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -50.5 48.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.869 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -62.89 -39.74 95.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.94 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.457 ' HB2' HD11 ' A' ' 403' ' ' ILE . 54.0 p -54.78 -45.94 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 61.13 110.883 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 36.6 m -57.83 -46.26 84.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 52.43 111.127 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 2.2 ttp -54.41 -44.23 72.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.942 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.75 HD12 HD23 ' A' ' 377' ' ' LEU . 28.9 mt -73.14 -41.36 64.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 43.52 110.921 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -53.61 -49.37 67.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.917 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -65.46 -34.77 79.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.851 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -53.18 -53.3 52.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 71.45 110.888 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.594 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 95.7 m-85 -74.41 -39.8 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 54.34 110.889 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -54.68 -41.92 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 71.03 110.883 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -64.04 -35.98 82.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 62.42 110.89 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 34.4 mtm -75.57 -35.12 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.887 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 397' ' ' ILE . 20.3 m-85 -70.86 -37.02 73.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 71.21 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.528 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.5 pp -84.37 -34.95 23.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 72.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.528 ' N ' HD12 ' B' ' 428' ' ' LEU . 99.3 t 58.26 83.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 74.44 111.151 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . 0.437 ' N ' HD12 ' B' ' 428' ' ' LEU . . . -174.88 38.54 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 42.01 112.49 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.02 -35.91 48.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 62.22 110.875 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -136.95 33.77 2.28 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 64.44 112.468 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -167.81 47.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.894 0.378 . . . . 74.12 110.888 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 32.0 p -59.68 -174.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 63.33 110.831 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.753 HG12 ' CG1' ' B' ' 436' ' ' ILE . 20.5 t -116.15 135.23 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 65.41 111.165 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.753 ' CG1' HG12 ' B' ' 435' ' ' VAL . 0.2 OUTLIER 49.24 -169.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 70.25 111.151 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.476 ' H ' HG22 ' B' ' 436' ' ' ILE . 0.2 OUTLIER -50.94 -34.18 27.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.13 111.151 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 177.21 -178.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 54.42 110.894 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 3.2 p -168.63 139.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.11 111.124 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . 0.448 ' O ' ' HB2' ' B' ' 445' ' ' ALA . 4.1 mm? -96.83 72.52 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.25 110.892 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . 0.653 ' ND2' HD12 ' B' ' 444' ' ' LEU . 1.4 t-20 61.08 168.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 71.33 110.897 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -116.04 -67.34 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.897 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 75.8 m -62.93 -55.04 29.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 55.1 110.876 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . 0.653 HD12 ' ND2' ' B' ' 441' ' ' ASN . 34.5 mt -63.63 -33.68 76.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 73.22 110.935 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' B' ' 440' ' ' LEU . . . -50.26 -33.73 20.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.51 111.13 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.93 -59.31 4.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.866 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -72.69 -43.19 63.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 75.01 110.921 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -35.03 42.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.906 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -51.84 -42.86 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 73.21 110.927 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . 0.426 ' O ' ' HB3' ' B' ' 453' ' ' ALA . 0.0 OUTLIER -82.69 -49.02 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 65.3 110.868 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -51.64 -59.37 4.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 75.43 110.933 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.8 -35.85 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 65.55 110.905 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' B' ' 450' ' ' HIS . . . -51.46 -35.64 40.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 64.13 111.127 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.79 -39.26 36.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.907 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -169.7 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 72.25 110.894 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.21 174.81 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 63.12 111.137 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.91 171.85 14.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 73.2 110.906 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.31 160.81 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.841 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -134.92 159.44 41.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 60.35 110.937 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -112.36 -129.71 5.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 71.53 112.469 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.9 131.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 72.41 110.87 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.5 -63.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 72.34 110.892 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 91.1 166.0 40.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.77 -0.729 . . . . 65.23 112.459 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 157.48 60.2 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.237 . . . . 74.05 112.339 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -152.72 118.54 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 71.54 110.882 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.6 -172.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.907 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.2 tttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 61.23 110.92 179.85 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.917 0.389 . . . . 74.34 110.856 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.86 158.34 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 73.04 110.825 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -161.31 179.5 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 50.24 111.085 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -102.14 -169.98 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.12 111.138 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.11 -70.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 73.0 110.881 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -122.52 -171.56 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.32 110.913 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . 0.593 HG23 ' HB3' ' A' ' 349' ' ' ASP . 6.4 t -53.21 143.67 17.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 73.11 111.105 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.6 m -71.57 -39.12 70.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 60.3 110.817 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -35.66 60.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 71.15 110.928 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . 0.593 ' HB3' HG23 ' A' ' 346' ' ' THR . 6.1 t70 -73.68 -45.54 51.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 75.24 110.891 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.23 -38.91 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.829 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -74.91 -33.96 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 74.54 110.876 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.628 ' HA ' HD12 ' A' ' 355' ' ' ILE . 5.9 mt -71.25 -47.46 57.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.95 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -56.37 -28.7 59.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.901 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -76.91 -38.13 54.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.873 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 352' ' ' LEU . 24.2 mt -64.15 -38.59 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.117 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -71.89 -39.22 69.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.841 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -71.87 -42.17 67.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 63.02 111.087 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -54.91 -38.27 67.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 64.34 110.921 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.485 HG23 ' SG ' ' A' ' 373' ' ' CYS . 38.2 mt -74.41 -33.87 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 73.32 111.117 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -61.8 -52.43 64.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 71.35 110.894 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -71.45 -29.63 65.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 61.12 110.928 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 15.7 m -74.75 -26.73 59.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.887 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 363' ' ' LEU . 32.0 mt -94.43 26.55 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 63.44 110.915 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.13 170.1 7.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.883 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 0.958 HD11 HG22 ' B' ' 403' ' ' ILE . 5.7 tp -84.65 -40.96 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.13 111.123 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.422 ' N ' HG23 ' A' ' 365' ' ' ILE . 13.1 p-10 -91.7 -32.6 15.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.875 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -105.08 36.63 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 65.54 110.923 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' B' ' 406' ' ' PHE . 16.3 tp -55.83 106.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 61.41 110.95 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.29 71.64 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.15 110.84 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.77 ' HB ' HD11 ' B' ' 412' ' ' ILE . 17.4 m -51.87 -28.01 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.098 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -51.11 -40.46 58.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.909 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -76.42 -33.31 58.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.858 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.485 ' SG ' HG23 ' A' ' 359' ' ' ILE . 7.4 t -53.23 -59.39 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.914 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.09 -48.27 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 55.44 111.128 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -51.55 -35.6 41.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.857 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.96 -53.17 8.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.082 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.91 -45.05 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 72.3 110.929 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.92 -37.37 79.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 44.25 110.899 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -65.32 -47.45 76.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 34.12 110.847 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.693 HD23 HD12 ' A' ' 383' ' ' LEU . 0.0 OUTLIER -52.04 -54.0 35.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 52.31 110.896 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.564 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -55.08 -21.43 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 53.33 111.074 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -98.96 26.71 5.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.828 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.693 HD12 HD23 ' A' ' 380' ' ' LEU . 36.6 mt -109.96 -30.02 7.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 63.21 110.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 50.84 42.79 28.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.922 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.92 145.03 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 44.12 111.111 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -87.58 175.46 7.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 72.12 111.128 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 1.8 ttt -62.64 -38.85 91.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.861 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.67 -54.5 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 70.25 110.919 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.2 -35.4 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 70.44 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.49 88.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.115 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -51.83 -44.53 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 75.25 110.955 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -35.31 80.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.49 35.56 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 70.14 110.868 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.707 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.2 OUTLIER -58.61 -36.27 73.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 63.35 111.146 -179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.47 -41.4 98.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.896 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.46 ' CE ' HD22 ' A' ' 352' ' ' LEU . 3.1 tmm? -57.1 -37.56 72.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.907 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.714 ' HA ' HD12 ' A' ' 400' ' ' LEU . 4.3 mt -70.04 -38.32 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 64.34 111.163 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 91.9 m -58.09 -40.33 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 71.25 111.118 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 96.1 m -65.36 -36.16 83.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.136 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 397' ' ' ILE . 48.9 mt -57.6 -37.27 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.881 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -75.49 -29.03 59.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.925 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -74.34 -35.89 63.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.01 110.957 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 0.939 HG22 HD11 ' B' ' 365' ' ' ILE . 33.8 pt -74.21 -1.53 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.44 111.128 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -33.12 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 64.01 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 -20.25 7.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.869 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.474 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.1 OUTLIER -40.8 120.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 75.04 110.916 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . 0.514 ' HE2' HG22 ' B' ' 456' ' ' THR . 11.6 pttt -175.53 141.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.885 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.545 HG22 ' HB ' ' A' ' 412' ' ' ILE . 9.2 p -62.1 136.49 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 43.23 111.138 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 7.7 t -67.66 179.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.856 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -79.75 -38.94 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 74.23 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.7 p -60.0 -39.53 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 73.11 111.112 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.756 HD11 ' HB ' ' B' ' 370' ' ' VAL . 92.7 mt -64.48 -54.15 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.177 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . 0.5 ' HE2' HG13 ' A' ' 408' ' ' VAL . 16.7 ptp -62.26 -32.45 73.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 65.12 110.835 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.38 -36.04 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.896 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -76.57 -36.06 57.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 75.21 110.93 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.1 p -56.38 -47.74 78.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 71.33 110.85 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 97.2 m -53.93 -46.12 71.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 73.02 111.102 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.9 tpt -50.8 -48.92 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 71.21 110.869 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.984 HD13 HD23 ' B' ' 380' ' ' LEU . 25.2 mt -73.53 -35.61 65.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 71.2 110.911 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -60.88 -58.43 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.869 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.5 -34.67 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.92 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -53.87 -53.26 55.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.876 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -70.12 -41.93 73.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 74.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . 0.503 ' CD ' HD13 ' A' ' 444' ' ' LEU . 4.6 ttpm? -51.98 -45.17 64.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 63.42 110.891 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -55.6 -35.44 65.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 44.24 110.875 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 28.3 mtm -75.42 -34.56 61.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.898 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.459 ' CE2' HD13 ' B' ' 397' ' ' ILE . 42.7 m-85 -72.19 -36.24 69.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 65.35 110.872 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.4 pp -85.08 -35.05 22.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.967 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.542 ' N ' HD12 ' A' ' 428' ' ' LEU . 92.0 t 57.19 82.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 70.12 111.152 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . 0.431 ' N ' HD12 ' A' ' 428' ' ' LEU . . . 68.5 -91.48 0.25 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 25.3 112.454 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -170.35 126.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 75.24 110.884 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -173.06 -163.03 26.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 64.41 112.508 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.23 175.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 72.32 110.873 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 83.7 p -88.26 -172.08 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.858 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 10.4 m -130.15 139.16 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 45.03 111.136 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.691 HD12 ' OG1' ' A' ' 437' ' ' THR . 1.0 OUTLIER -103.73 -31.03 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 70.31 111.109 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.691 ' OG1' HD12 ' A' ' 436' ' ' ILE . 0.0 OUTLIER 179.16 85.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 73.3 111.117 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.59 -178.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.872 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 15.8 t 65.02 152.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 34.11 111.103 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.24 -38.0 12.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 61.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -54.09 152.13 6.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 64.43 110.895 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.04 -67.46 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.922 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -55.07 39.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 75.3 110.845 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . 0.503 HD13 ' CD ' ' A' ' 424' ' ' LYS . 4.5 mt -62.72 -35.18 78.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.483 . . . . 75.3 110.931 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.6 -36.79 47.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 72.32 111.087 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.18 -60.67 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 72.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -67.48 -35.99 80.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 64.54 110.937 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -52.38 -36.05 53.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 53.15 110.858 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 453' ' ' ALA . 1.5 tt0 -52.23 -36.5 52.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.893 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -80.19 -51.96 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 75.51 110.886 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.35 -43.19 64.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 75.33 110.904 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -36.2 58.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 75.21 110.89 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 449' ' ' GLN . . . -52.43 -35.99 53.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 74.2 111.123 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -60.4 -36.12 77.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.937 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.81 103.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.937 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.527 HG22 ' HE2' ' B' ' 407' ' ' LYS . 0.2 OUTLIER -123.25 35.71 4.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 60.34 111.141 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? 62.73 103.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 72.51 110.882 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.7 -177.57 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.11 110.858 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.89 176.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 44.03 110.929 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -172.62 171.45 44.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 70.4 112.5 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -107.92 -175.61 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 74.2 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.67 163.0 18.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 65.12 110.908 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 172.05 -165.88 38.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 54.43 112.519 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 113.41 3.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.628 2.219 . . . . 72.11 112.371 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -118.84 133.07 56.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.888 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.2 159.49 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.92 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 2.2 tptt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 65.2 110.919 179.824 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.863 0.363 . . . . 74.43 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.88 158.39 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 74.02 110.912 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -161.26 179.69 8.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 50.42 111.121 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -102.73 -169.9 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.037 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.9 -71.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 61.04 110.823 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -122.09 -171.74 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 74.35 110.886 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . 0.592 HG23 ' HB3' ' B' ' 349' ' ' ASP . 6.8 t -52.18 142.78 15.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 65.14 111.127 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 11.7 m -71.51 -38.81 71.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 65.44 110.845 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.13 -35.88 60.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.89 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . 0.592 ' HB3' HG23 ' B' ' 346' ' ' THR . 6.4 t70 -73.25 -44.96 58.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 75.42 110.877 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -39.47 89.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 65.45 110.836 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -74.85 -34.29 62.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 64.45 110.879 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.655 ' HA ' HD12 ' B' ' 355' ' ' ILE . 11.4 mt -71.19 -48.1 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 63.21 110.929 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -55.09 -28.61 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 64.41 110.913 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -76.43 -35.57 58.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.865 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' B' ' 352' ' ' LEU . 52.0 mt -63.5 -40.92 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 75.43 111.119 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -71.79 -42.51 67.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.845 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.21 80.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 75.04 111.091 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.54 -38.05 66.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.45 110.885 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.494 HG23 ' SG ' ' B' ' 373' ' ' CYS . 32.5 mt -75.22 -30.31 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 62.43 111.141 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -63.41 -52.8 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 74.3 110.901 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -72.44 -28.55 63.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 75.2 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.0 m -74.75 -26.98 60.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 42.1 mt -94.88 26.5 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 45.15 110.886 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.36 169.19 9.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.876 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 0.939 HD11 HG22 ' A' ' 403' ' ' ILE . 5.7 tp -84.67 -40.52 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 74.33 111.138 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.416 ' N ' HG23 ' B' ' 365' ' ' ILE . 13.3 p-10 -90.84 -33.21 15.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 64.14 110.856 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -106.05 36.57 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 65.1 110.893 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 15.8 tp -55.68 106.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.953 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.67 71.92 1.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 74.12 110.873 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.756 ' HB ' HD11 ' A' ' 412' ' ' ILE . 16.2 m -52.22 -27.95 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 64.02 111.08 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -51.16 -41.02 59.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.869 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -76.3 -32.82 58.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 64.21 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.494 ' SG ' HG23 ' B' ' 359' ' ' ILE . 6.1 t -53.21 -59.05 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 61.02 110.824 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.43 -45.35 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 64.33 111.136 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -53.44 -36.62 61.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 75.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.82 -51.5 11.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.15 111.104 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 3.1 mt -52.07 -42.63 63.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 72.3 110.94 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -64.61 -35.01 79.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 54.03 110.891 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.19 -50.33 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 62.51 110.886 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.984 HD23 HD13 ' A' ' 419' ' ' LEU . 6.3 tp -56.28 -48.11 77.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.31 110.949 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . 0.525 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -54.54 -25.68 27.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 71.22 111.104 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -79.57 -29.95 41.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 63.33 110.884 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.38 101.78 13.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 71.02 110.905 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -73.42 68.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 65.43 110.892 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.93 136.53 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 70.11 111.111 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -83.64 173.32 11.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 45.24 111.131 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 1.9 ttt -59.8 -38.97 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.882 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -52.53 -54.32 34.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.901 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -74.21 -36.03 63.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.884 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.39 88.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 62.03 111.05 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -51.79 -42.66 62.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 71.43 110.915 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -35.51 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 54.25 110.922 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -95.19 35.61 1.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.862 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.648 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.1 OUTLIER -55.73 -35.43 66.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 54.13 111.167 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.79 -42.43 95.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 74.34 110.885 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -55.33 -38.25 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.867 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.72 ' HA ' HD12 ' B' ' 400' ' ' LEU . 4.1 mt -67.55 -42.79 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 71.44 111.139 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 92.1 m -55.52 -45.42 77.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 55.43 111.153 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 95.7 m -58.42 -41.8 85.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 71.54 111.164 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' B' ' 397' ' ' ILE . 22.4 mt -55.95 -35.57 66.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.931 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -76.32 -28.77 57.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 60.31 110.837 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -75.37 -35.41 61.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.885 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.958 HG22 HD11 ' A' ' 365' ' ' ILE . 35.8 pt -73.6 -1.66 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 52.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -33.62 42.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 71.35 110.861 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.8 -20.04 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 65.42 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.479 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.2 OUTLIER -40.79 119.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 70.24 110.85 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . 0.527 ' HE2' HG22 ' A' ' 456' ' ' THR . 10.7 pttt -175.23 141.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 62.2 110.893 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.541 HG22 ' HB ' ' B' ' 412' ' ' ILE . 9.2 p -61.94 137.1 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 71.22 111.154 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 7.7 t -68.62 179.76 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 64.22 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -79.72 -38.76 32.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 73.33 110.94 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.14 -39.61 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 73.1 111.094 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.77 HD11 ' HB ' ' A' ' 370' ' ' VAL . 94.0 mt -64.49 -54.54 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.34 111.091 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . 0.486 ' HE2' HG13 ' B' ' 408' ' ' VAL . 16.8 ptp -61.85 -31.95 72.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.905 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.59 -36.21 63.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.819 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -76.64 -37.9 55.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.852 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 90.6 p -55.16 -44.58 75.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 61.13 110.844 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . 0.43 HG22 ' ND2' ' B' ' 421' ' ' ASN . 98.1 m -56.41 -47.44 79.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 52.43 111.104 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.1 tpt -49.11 -47.57 45.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.852 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 381' ' ' ALA . 45.6 mt -75.55 -34.63 60.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 43.52 110.875 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.07 -63.95 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.913 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . 0.43 ' ND2' HG22 ' B' ' 417' ' ' THR . 10.3 p30 -63.04 -32.6 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.877 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -53.02 -47.97 67.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 71.45 110.898 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -75.59 -43.1 49.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 54.34 110.836 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . 0.612 ' HD3' HD13 ' B' ' 444' ' ' LEU . 4.4 ttpm? -53.46 -46.76 70.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 71.03 110.904 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.84 -35.72 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 62.42 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 27.4 mtm -77.34 -35.05 55.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.903 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . 0.444 ' CE2' HD13 ' A' ' 397' ' ' ILE . 42.2 m-85 -71.22 -35.53 71.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.21 110.928 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.529 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.5 pp -86.05 -35.26 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 72.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.529 ' N ' HD12 ' B' ' 428' ' ' LEU . 98.3 t 58.16 86.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.146 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 65.35 -92.05 0.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 42.01 112.506 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -169.42 123.25 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 62.22 110.881 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -168.2 -160.48 16.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 64.44 112.509 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.97 176.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 74.12 110.896 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 83.3 p -83.88 -179.92 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 63.33 110.853 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 3.3 p -121.6 124.01 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 65.41 111.173 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.75 93.81 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 70.25 111.166 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 1.3 m 68.76 72.2 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 73.13 111.101 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 51.51 -169.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 54.42 110.913 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 16.8 t 65.59 149.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.11 111.108 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 30.3 mt -94.86 -36.02 11.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.929 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . 0.437 ' O ' ' HB2' ' B' ' 445' ' ' ALA . 15.3 m-20 -59.15 153.41 18.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.33 110.831 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.82 -67.74 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.918 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -53.67 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 55.1 110.85 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . 0.612 HD13 ' HD3' ' B' ' 424' ' ' LYS . 3.5 mt -65.31 -36.17 83.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.923 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' B' ' 441' ' ' ASN . . . -51.72 -37.2 49.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 72.51 111.094 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.39 -58.9 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.917 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.27 -36.29 79.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 75.01 110.886 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -52.54 -36.52 55.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.84 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' B' ' 453' ' ' ALA . 1.5 tt0 -52.07 -36.12 49.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.92 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -80.41 -51.44 8.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 65.3 110.872 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.54 -43.61 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.886 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -36.44 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 65.55 110.927 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' B' ' 449' ' ' GLN . . . -52.06 -35.66 48.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 64.13 111.125 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -60.84 -36.48 79.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.07 103.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 72.25 110.91 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . 0.514 HG22 ' HE2' ' A' ' 407' ' ' LYS . 0.2 OUTLIER -123.49 35.62 4.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 63.12 111.175 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? 62.73 103.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.2 110.926 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.95 -177.32 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.44 110.913 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.94 177.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 60.35 110.931 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -172.71 171.63 44.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 71.53 112.481 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -108.14 -175.39 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 72.41 110.905 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.85 163.11 18.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.923 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 171.83 -165.99 38.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 65.23 112.485 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.71 2.273 . . . . 74.05 112.321 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -118.9 133.18 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 71.54 110.886 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.2 159.41 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.892 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.2 tptt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 61.23 110.907 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.871 0.367 . . . . 74.34 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -52.24 114.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 73.04 110.889 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -177.88 146.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 50.24 111.096 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -170.11 163.37 9.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 74.12 111.102 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 46.1 t -154.28 162.62 41.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 73.0 110.829 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.35 -178.43 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.899 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.31 -173.77 4.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 73.11 111.179 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.01 -58.91 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 60.3 110.877 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -38.15 63.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 71.15 110.883 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.45 -34.66 65.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 75.24 110.916 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 11.1 m -68.36 -38.74 81.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 64.41 110.835 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -33.65 62.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.871 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.55 HD23 ' CG ' ' A' ' 393' ' ' HIS . 0.9 OUTLIER -71.19 -47.46 57.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.882 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -57.76 -29.38 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.897 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -76.69 -45.2 30.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.908 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 352' ' ' LEU . 17.7 mt -57.53 -42.32 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.152 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . 0.419 ' HA ' HD12 ' A' ' 359' ' ' ILE . 19.2 t-160 -71.84 -39.48 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.846 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.87 -48.68 73.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 63.02 111.063 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.06 -38.79 68.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 64.34 110.918 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.534 HG23 ' SG ' ' A' ' 373' ' ' CYS . 41.3 mt -64.34 -36.52 77.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 73.32 111.142 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -51.99 65.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 71.35 110.894 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -71.62 -31.25 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 61.12 110.85 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 67.1 m -79.42 -1.33 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.858 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.513 HD12 HG22 ' A' ' 359' ' ' ILE . 29.5 mt -121.3 26.55 8.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 63.44 110.907 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -73.9 167.84 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 73.13 110.892 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 1.008 HD11 HG22 ' B' ' 403' ' ' ILE . 6.2 tp -83.4 -37.4 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 75.13 111.088 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -89.34 -30.87 18.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.879 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -116.46 37.13 3.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 65.54 110.87 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' B' ' 406' ' ' PHE . 13.5 tp -52.53 108.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 61.41 110.892 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -124.47 59.64 1.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.843 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . . . . . . . . . 2.9 m -49.63 -32.77 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 73.32 111.186 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -53.31 -35.16 59.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.836 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.74 -35.82 60.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.873 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.534 ' SG ' HG23 ' A' ' 359' ' ' ILE . 4.3 t -53.29 -52.19 59.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 70.04 110.876 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.6 mt -53.4 -35.89 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 55.44 111.118 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.07 -34.51 76.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.11 110.913 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.51 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.64 -53.71 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 74.24 111.105 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.35 -35.01 50.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 72.3 110.882 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.47 -46.23 87.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 44.25 110.858 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.48 -45.39 93.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 34.12 110.896 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.676 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.7 tm? -52.29 -35.82 51.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 52.31 110.924 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -71.29 -35.85 71.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 53.33 111.099 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 2.5 t -70.25 -36.32 74.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.855 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 84.0 mt -67.23 115.28 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 63.21 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -79.92 64.67 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 74.02 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.9 p -74.73 140.09 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 44.12 111.117 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -97.27 173.74 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.12 111.153 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -35.67 72.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.91 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -53.85 -59.22 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 70.25 110.944 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -69.96 -36.78 75.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 70.44 110.908 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.83 -51.24 69.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.068 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.54 -35.97 43.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 75.25 110.899 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.18 -34.31 68.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.55 ' CG ' HD23 ' A' ' 352' ' ' LEU . 76.0 m80 -95.09 35.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 70.14 110.853 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -34.61 57.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 63.35 111.156 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -44.86 82.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 65.31 110.885 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.441 ' HE1' HD21 ' A' ' 380' ' ' LEU . 1.2 ttm -55.16 -56.13 23.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 74.31 110.859 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.553 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.0 mp -58.59 -36.17 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 64.34 111.167 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 34.5 m -56.91 -32.23 65.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 71.25 111.156 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.9 m -81.45 -37.19 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 64.32 111.113 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 397' ' ' ILE . 50.1 mt -51.64 -40.0 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 73.43 110.93 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -28.02 56.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 75.05 110.874 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -75.04 -34.77 61.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 71.01 110.922 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.066 HG22 HD11 ' B' ' 365' ' ' ILE . 31.7 pt -74.48 -3.22 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.44 111.141 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -37.8 60.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 64.01 110.848 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 25.22 8.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.895 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.744 ' CD2' HD13 ' B' ' 368' ' ' LEU . 1.2 t80 -84.93 120.72 26.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.04 110.864 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.5 156.47 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.893 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 408' ' ' VAL . 5.6 p -86.91 110.5 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 43.23 111.15 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 28.5 t -46.22 154.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 74.43 110.833 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -60.61 -34.39 74.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 74.23 110.926 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.06 -40.42 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.11 111.165 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.41 HG23 HD11 ' B' ' 377' ' ' LEU . 87.2 mt -74.65 -38.66 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 74.31 111.132 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 26.4 mtm -66.04 -38.2 87.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 65.12 110.89 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -75.63 -34.01 60.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.892 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -71.63 -35.54 70.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.848 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.9 p -62.48 -48.57 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 71.33 110.898 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 35.1 m -52.58 -42.52 64.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 73.02 111.133 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -45.68 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.846 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.437 HD13 HD12 ' B' ' 380' ' ' LEU . 62.8 mt -74.41 -42.69 58.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 71.2 110.912 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -53.77 -52.08 61.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.919 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -62.69 -39.67 94.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 73.14 110.92 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -53.93 -52.04 61.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.91 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.531 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 21.3 m-85 -73.14 -34.02 65.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . 0.464 ' O ' HD23 ' A' ' 428' ' ' LEU . 4.2 tttt -62.54 -34.69 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.903 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -48.43 81.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 44.24 110.885 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 15.2 ptp -74.83 -33.42 62.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.905 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -68.15 -36.09 79.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.901 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.716 HD13 ' CB ' ' A' ' 440' ' ' LEU . 2.2 pp -88.6 -34.09 17.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.911 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.5 t 60.08 98.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 70.12 111.139 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -165.03 -96.09 0.11 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 25.3 112.489 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -110.05 117.96 35.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 75.24 110.902 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -71.56 94.69 0.58 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 64.41 112.456 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.6 154.13 3.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 72.32 110.866 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.94 97.79 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.02 110.859 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 20.0 m -75.79 157.19 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 45.03 111.135 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 4.6 mp -95.4 -36.3 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 70.31 111.121 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.9 t -166.53 74.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 73.3 111.155 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -129.59 154.55 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.898 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 439' ' ' VAL . 6.3 m -135.97 109.01 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 34.11 111.151 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.716 ' CB ' HD13 ' A' ' 428' ' ' LEU . 4.1 mm? -115.58 -35.89 4.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 61.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.81 162.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 64.43 110.924 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 -35.93 4.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 73.11 110.92 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -55.04 11.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.855 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 9.9 mt -72.32 -35.27 68.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 75.3 110.959 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.58 -35.49 41.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.085 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -70.17 -50.65 38.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 72.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -63.18 -58.64 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 64.54 110.919 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -36.05 47.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 53.15 110.889 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.57 -35.94 61.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 74.13 110.969 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -74.04 -59.8 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 75.51 110.86 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.35 -36.42 53.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.869 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.08 -35.72 56.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 75.21 110.881 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.44 -35.37 39.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 74.2 111.095 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.35 -39.97 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 74.14 110.927 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 148.93 49.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.933 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.86 175.35 10.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 60.34 111.129 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.26 53.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.51 110.892 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 59.75 74.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.891 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.21 178.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 44.03 110.892 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 179.98 92.84 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.729 -0.748 . . . . 70.4 112.436 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.9 -170.09 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 74.2 110.855 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.74 110.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 65.12 110.875 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -130.38 174.68 19.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 54.43 112.491 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 98.85 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.686 2.257 . . . . 72.11 112.323 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 5.9 t30 63.21 161.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 63.41 110.921 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? -179.22 36.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.892 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 57.8 mttt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 65.2 110.936 179.88 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.903 0.382 . . . . 74.43 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -52.08 114.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 74.02 110.872 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -177.97 145.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 50.42 111.098 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -170.06 163.46 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 75.44 111.112 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 45.4 t -154.41 162.52 41.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 61.04 110.831 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.38 -178.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 74.35 110.912 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.9 -172.79 4.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 65.14 111.138 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.63 -59.3 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 65.44 110.854 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -37.47 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 74.02 110.851 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -35.17 65.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 75.42 110.895 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 11.7 m -68.51 -38.54 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 65.45 110.871 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -74.2 -34.23 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 64.45 110.904 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.544 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.0 OUTLIER -70.05 -47.79 60.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.913 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -58.79 -31.02 68.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 64.41 110.962 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -73.78 -43.7 58.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.579 HG23 ' HB1' ' B' ' 376' ' ' ALA . 14.0 mt -60.48 -41.64 88.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 75.43 111.13 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . 0.45 ' HA ' HD12 ' B' ' 359' ' ' ILE . 20.4 t-160 -70.85 -37.34 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.835 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.94 70.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.04 111.147 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.28 -41.09 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.865 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.507 HG22 HD12 ' B' ' 363' ' ' LEU . 27.9 mt -62.89 -36.65 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 62.43 111.199 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -59.93 -51.86 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.88 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -72.45 -31.41 65.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 75.2 110.848 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 70.4 m -76.76 -4.64 44.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 71.21 110.881 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.507 HD12 HG22 ' B' ' 359' ' ' ILE . 50.4 mt -119.89 26.01 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 45.15 110.931 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -73.9 167.9 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.87 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.066 HD11 HG22 ' A' ' 403' ' ' ILE . 6.6 tp -83.78 -38.45 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.109 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -88.62 -31.08 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 64.14 110.869 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -116.15 37.04 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 65.1 110.902 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.744 HD13 ' CD2' ' A' ' 406' ' ' PHE . 12.1 tp -52.53 107.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 73.24 110.917 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -126.56 63.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.84 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . . . . . . . . . 4.1 m -50.44 -31.02 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.02 111.139 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -52.14 -35.31 48.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.929 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -35.41 60.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 64.21 110.873 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.503 ' SG ' HG23 ' B' ' 359' ' ' ILE . 7.4 t -53.45 -52.89 58.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 61.02 110.883 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 5.3 mt -53.54 -37.31 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 64.33 111.083 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -66.22 -35.5 80.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 75.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.579 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.3 -54.08 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 73.15 111.071 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . 0.41 HD11 HG23 ' A' ' 412' ' ' ILE . 21.6 mt -52.6 -36.64 56.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.883 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.29 -46.14 90.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 54.03 110.929 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.6 -46.13 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 62.51 110.852 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.664 HD13 ' O ' ' B' ' 380' ' ' LEU . 1.7 tm? -52.72 -37.49 59.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 72.31 110.89 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -69.24 -34.61 75.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 71.22 111.076 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 2.5 t -72.38 -37.25 68.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 63.33 110.869 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.1 115.94 6.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 71.02 110.937 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -81.04 64.14 5.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 65.43 110.931 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.2 p -75.17 139.13 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 70.11 111.092 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -95.77 173.86 7.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 45.24 111.112 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -35.89 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.891 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -53.49 -57.64 9.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.941 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.41 -36.33 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.926 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.88 -51.07 70.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 62.03 111.111 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -35.8 45.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 71.43 110.92 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.22 70.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 54.25 110.919 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . 0.466 ' CG ' HD23 ' B' ' 352' ' ' LEU . 76.6 m80 -95.17 35.54 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 74.34 110.887 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.98 -35.53 59.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 54.13 111.11 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.77 -43.52 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.874 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.5 ttm -55.46 -57.17 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.939 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.662 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.2 mp -56.6 -36.3 47.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.44 111.138 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 31.5 m -57.42 -32.21 66.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 55.43 111.15 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -81.55 -38.41 26.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.54 111.158 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' B' ' 397' ' ' ILE . 41.3 mt -51.3 -39.62 57.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 75.11 110.908 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -27.96 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 60.31 110.897 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -75.67 -34.62 60.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 72.14 110.943 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 1.008 HG22 HD11 ' A' ' 365' ' ' ILE . 34.3 pt -74.65 -1.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 52.0 111.116 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -38.23 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.92 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.5 26.37 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 65.42 110.848 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.48 ' CD1' HD13 ' A' ' 368' ' ' LEU . 0.1 OUTLIER -84.21 120.32 26.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 70.24 110.833 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.38 -166.83 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 62.2 110.894 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.575 HG22 ' HB ' ' B' ' 412' ' ' ILE . 11.1 p -118.96 -11.93 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 71.22 111.109 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.0 t 71.96 132.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 64.22 110.839 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -53.63 -35.93 61.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 73.33 110.909 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -53.65 -39.36 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 73.1 111.119 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.575 ' HB ' HG22 ' B' ' 408' ' ' VAL . 9.7 mt -75.06 -34.36 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 71.34 111.111 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 27.0 mtm -71.32 -39.26 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.903 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -72.17 -37.04 69.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.852 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -69.76 -35.82 75.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 74.32 110.899 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.8 p -61.74 -50.16 73.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 61.13 110.856 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 30.5 m -52.16 -45.1 64.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 52.43 111.134 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -45.95 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 74.22 110.883 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.667 HD13 HD12 ' A' ' 380' ' ' LEU . 64.0 mt -74.63 -45.62 43.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 43.52 110.902 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -51.01 -54.76 21.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.909 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -58.87 -35.13 72.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.882 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -57.36 -53.7 55.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.884 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.575 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 93.5 m-85 -70.92 -35.97 72.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 54.34 110.862 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . 0.494 ' O ' HD23 ' B' ' 428' ' ' LEU . 4.2 tttt -60.17 -35.05 74.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 71.03 110.886 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -49.03 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 62.42 110.909 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 16.6 ptp -75.11 -33.53 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.864 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -68.07 -35.99 79.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 71.21 110.907 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.716 HD13 ' CB ' ' B' ' 440' ' ' LEU . 2.1 pp -88.72 -34.3 17.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 72.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 94.8 t 59.95 98.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 74.44 111.15 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -165.21 -96.79 0.11 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 42.01 112.474 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -109.33 117.82 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 62.22 110.868 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -71.19 93.64 0.52 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 64.44 112.522 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -170.69 154.29 4.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 74.12 110.878 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.03 98.02 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 63.33 110.889 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 19.9 m -75.78 157.31 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 65.41 111.129 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 4.7 mp -95.44 -36.62 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 70.25 111.09 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 1.9 t -166.49 75.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 73.13 111.127 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -129.68 154.38 47.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 54.42 110.938 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . 0.412 ' O ' HG23 ' B' ' 439' ' ' VAL . 6.3 m -135.79 109.01 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.11 111.121 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . 0.716 ' CB ' HD13 ' B' ' 428' ' ' LEU . 4.1 mm? -115.73 -35.65 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.882 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.84 162.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.902 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 -32.96 5.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.868 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -54.38 9.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 55.1 110.871 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 9.8 mt -73.0 -35.28 66.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 73.22 110.904 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.55 -35.43 40.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 72.51 111.158 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -70.04 -50.83 37.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.903 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -63.36 -58.45 7.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 75.01 110.949 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -35.77 47.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 73.21 110.846 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.84 -36.14 62.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.88 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -73.67 -59.7 2.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 65.3 110.861 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.8 -36.25 58.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.844 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.12 -35.59 56.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 65.55 110.92 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.45 -35.39 39.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 64.13 111.086 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.37 -39.79 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.42 110.865 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.81 148.44 50.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.25 110.906 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.22 -179.64 6.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 63.12 111.163 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.27 36.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.927 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 54.62 35.82 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 72.44 110.898 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.18 -172.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 60.35 110.94 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 153.13 70.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.753 . . . . 71.53 112.506 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.76 -177.94 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 72.41 110.841 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.37 110.39 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.869 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -128.7 175.68 18.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 65.23 112.493 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 99.43 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 74.05 112.343 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 5.9 t30 63.11 161.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 71.54 110.909 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? -179.23 36.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.901 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 57.8 mttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 61.23 110.878 179.905 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.875 0.369 . . . . 74.34 110.905 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -155.17 166.16 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.04 110.891 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -112.59 36.39 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 50.24 111.115 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -176.6 166.97 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 74.12 111.118 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.75 175.63 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 73.0 110.831 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.86 -168.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 71.32 110.921 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 2.1 p -46.47 111.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 73.11 111.173 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 9.7 t -50.82 -35.44 32.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 60.3 110.859 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.12 -39.85 63.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 71.15 110.9 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.77 -37.15 65.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 75.24 110.829 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -40.14 96.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 64.41 110.837 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.526 ' NH2' HD22 ' A' ' 383' ' ' LEU . 9.5 ptt180 -76.27 -33.11 59.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.858 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.09 -35.37 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 73.52 110.927 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -33.55 74.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.902 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -79.68 -38.12 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 32.2 mt -59.95 -43.91 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.14 111.126 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -72.31 -45.39 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.845 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.53 92.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 63.02 111.102 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.95 -43.98 73.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 64.34 110.865 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.428 HG22 HD12 ' A' ' 363' ' ' LEU . 36.4 mt -64.48 -32.33 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 73.32 111.097 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -62.81 -52.15 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 71.35 110.864 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.92 -29.29 65.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 61.12 110.888 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 10.8 p -76.12 -26.73 56.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 73.51 110.878 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.428 HD12 HG22 ' A' ' 359' ' ' ILE . 35.9 mt -94.42 26.75 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 63.44 110.957 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 170.85 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 73.13 110.905 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 0.962 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.8 -40.19 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 75.13 111.112 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 365' ' ' ILE . 10.3 p-10 -90.55 -33.62 15.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.858 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -106.1 36.4 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 65.54 110.907 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' B' ' 406' ' ' PHE . 15.2 tp -57.05 107.39 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 61.41 110.89 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -133.73 76.65 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.15 110.869 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.555 ' O ' HD12 ' A' ' 374' ' ' ILE . 11.3 m -51.61 -29.21 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 73.32 111.097 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.81 -36.77 49.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 71.21 110.878 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -75.89 -35.25 59.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.883 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.404 ' SG ' HG23 ' A' ' 359' ' ' ILE . 27.9 t -58.49 -56.33 23.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 70.04 110.858 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 370' ' ' VAL . 2.8 mp -53.29 -35.25 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 55.44 111.142 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.19 -36.3 82.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.873 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.26 -54.58 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 74.24 111.085 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 51.0 mt -55.07 -35.94 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 72.3 110.92 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.5 -36.23 83.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 44.25 110.835 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -50.51 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 34.12 110.853 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.9 tm? -53.75 -34.66 59.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 52.31 110.956 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -63.0 -27.93 69.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 53.33 111.103 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . 0.536 ' O ' HD23 ' A' ' 383' ' ' LEU . 0.2 OUTLIER -93.97 26.22 3.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.846 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 382' ' ' SER . 14.1 mt -120.46 116.4 25.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 63.21 110.901 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -87.75 58.21 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.9 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.93 136.52 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 44.12 111.137 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -80.23 170.22 16.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 72.12 111.164 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -35.26 71.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.23 110.842 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -59.29 5.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 70.25 110.922 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.02 -38.87 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 70.44 110.917 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.22 70.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.136 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 394' ' ' THR . 0.8 OUTLIER -52.92 -40.68 63.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.939 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -61.18 -34.55 75.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 71.12 110.915 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -95.24 35.71 1.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 70.14 110.881 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 391' ' ' GLN . 0.7 OUTLIER -52.46 -35.21 51.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 63.35 111.142 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -56.27 -50.54 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 65.31 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 48.9 ttp -55.41 -37.94 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.897 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.831 ' HA ' HD12 ' A' ' 400' ' ' LEU . 62.9 mt -70.11 -38.37 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 64.34 111.089 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 19.2 m -61.62 -44.13 97.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.25 111.178 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.2 m -62.02 -36.02 80.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 64.32 111.156 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 397' ' ' ILE . 18.8 mt -58.3 -36.32 73.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.934 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -76.0 -28.56 57.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 75.05 110.925 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -75.61 -35.72 60.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 71.01 110.898 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 0.984 HG22 HD11 ' B' ' 365' ' ' ILE . 35.7 pt -73.38 -1.49 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 75.44 111.116 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -34.18 45.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 64.01 110.849 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.12 -19.77 7.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.862 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.489 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -40.27 117.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 75.04 110.907 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -173.3 133.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.901 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.7 127.77 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 43.23 111.149 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 8.3 t -64.62 172.59 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.815 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -73.63 -31.67 63.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 74.23 110.912 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 28.9 t -53.22 -44.09 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 73.11 111.12 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.569 HD11 ' HB ' ' B' ' 370' ' ' VAL . 73.1 mt -74.11 -42.64 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.129 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 20.2 mtm -59.13 -43.07 91.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 65.12 110.905 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.2 -33.54 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.545 ' HE3' HG23 ' B' ' 374' ' ' ILE . 22.4 mttm -71.86 -38.26 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.866 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 70.8 p -60.14 -49.79 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 92.7 m -52.45 -34.63 49.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 73.02 111.139 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 29.2 ttp -58.83 -51.29 70.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.87 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.735 ' HG ' HD12 ' B' ' 380' ' ' LEU . 2.6 mm? -74.47 -35.66 63.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.957 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -59.3 -47.26 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.59 -39.46 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 73.14 110.877 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -54.94 -48.04 73.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.823 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 22.2 m-85 -74.98 -36.16 62.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 74.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . 0.712 ' HD2' HD13 ' A' ' 444' ' ' LEU . 2.3 ttpm? -55.88 -50.48 70.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 63.42 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.47 -35.61 53.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 44.24 110.863 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 8.5 mtm -75.53 -35.09 60.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -72.36 -36.96 68.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 65.35 110.841 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.4 pp -84.16 -35.25 23.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.549 ' N ' HD12 ' A' ' 428' ' ' LEU . 99.2 t 57.33 83.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 70.12 111.09 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . 0.434 ' N ' HD12 ' A' ' 428' ' ' LEU . . . 160.5 -135.55 4.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 25.3 112.433 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -119.96 122.11 40.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 75.24 110.905 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -113.07 -125.36 4.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 64.41 112.444 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 58.18 95.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 72.32 110.851 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 16.8 p -170.7 173.93 5.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 75.02 110.825 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.14 160.33 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 45.03 111.165 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 31.0 mt -85.39 110.09 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 70.31 111.131 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 3.3 m -161.38 39.58 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 73.3 111.11 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 52.36 70.44 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.918 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 22.6 t -138.48 149.5 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 34.11 111.12 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.25 161.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 61.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . 0.624 ' ND2' HD12 ' A' ' 444' ' ' LEU . 2.6 t-20 63.21 161.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 64.43 110.907 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -115.25 -59.49 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.918 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -43.58 90.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 75.3 110.829 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . 0.712 HD13 ' HD2' ' A' ' 424' ' ' LYS . 22.6 mt -73.97 -35.68 64.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 75.3 110.951 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.42 -42.56 61.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 72.32 111.094 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -75.62 -35.84 60.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 72.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -61.78 -59.89 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 64.54 110.885 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -52.56 -35.86 54.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 53.15 110.848 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 453' ' ' ALA . 5.4 tt0 -51.77 -49.04 63.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.917 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -82.48 -43.74 16.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 75.51 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -51.88 -59.26 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.902 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -36.16 83.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 75.21 110.894 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 449' ' ' GLN . . . -52.51 -38.07 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.11 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -71.47 -36.86 71.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.862 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -80.58 134.43 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.14 110.957 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 54.0 m -140.32 139.83 35.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 60.34 111.159 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.55 -170.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 72.51 110.934 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 34.8 t0 63.37 104.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.874 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -140.42 35.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 44.03 110.891 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -112.68 51.32 0.71 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 70.4 112.504 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.07 129.84 4.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 74.2 110.923 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.42 139.23 44.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 65.12 110.878 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -174.82 -169.26 36.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 54.43 112.526 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 150.03 67.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 2.277 . . . . 72.11 112.315 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -68.12 -41.88 81.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 63.41 110.857 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 164.28 3.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.912 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 65.2 110.89 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.894 0.378 . . . . 74.43 110.882 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -155.02 165.92 35.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 74.02 110.861 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -113.19 40.1 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 50.42 111.107 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -171.31 170.92 5.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 75.44 111.062 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.97 172.15 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 61.04 110.852 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -104.1 125.47 50.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 74.35 110.881 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 2.1 p 46.16 85.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 65.14 111.086 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 9.6 t -52.0 -36.65 50.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 65.44 110.871 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.27 -40.49 64.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 74.02 110.912 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.99 -32.22 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.863 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -39.62 90.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 65.45 110.888 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -77.73 -33.18 53.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 64.45 110.874 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.531 ' CD2' HD23 ' B' ' 380' ' ' LEU . 13.5 mt -74.46 -43.61 55.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 63.21 110.939 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -61.02 -35.45 76.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.951 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -78.15 -35.69 48.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 71.42 110.863 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.446 HG23 ' HB1' ' B' ' 376' ' ' ALA . 26.9 mt -64.41 -40.79 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 75.43 111.122 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -72.05 -40.42 68.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 74.23 110.828 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.91 89.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.04 111.111 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.24 -42.25 73.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 74.45 110.868 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.426 HG22 HD12 ' B' ' 363' ' ' LEU . 38.4 mt -65.69 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 62.43 111.122 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -62.86 -51.91 65.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.3 110.905 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -70.56 -29.42 65.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 75.2 110.881 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 13.2 p -76.4 -27.1 56.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.21 110.883 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.426 HD12 HG22 ' B' ' 359' ' ' ILE . 34.9 mt -94.14 26.91 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 45.15 110.897 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.84 171.29 6.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.912 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 0.984 HD11 HG22 ' A' ' 403' ' ' ILE . 5.6 tp -84.91 -39.7 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 74.33 111.137 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -91.02 -33.44 15.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 64.14 110.854 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -106.05 36.49 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 65.1 110.896 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' A' ' 406' ' ' PHE . 15.9 tp -57.02 107.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.964 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -134.41 76.47 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.857 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.577 ' O ' HD12 ' B' ' 374' ' ' ILE . 12.4 m -51.55 -28.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 64.02 111.096 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -51.58 -36.92 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.902 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -76.21 -34.77 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 64.21 110.888 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 22.5 t -58.07 -56.91 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 61.02 110.911 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.577 HD12 ' O ' ' B' ' 370' ' ' VAL . 2.7 mp -53.18 -34.52 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 64.33 111.133 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.06 -37.66 88.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 75.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.446 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.97 -54.3 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.15 111.138 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 41.4 mt -53.36 -35.43 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 72.3 110.888 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -67.67 -35.4 78.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 54.03 110.877 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.45 -50.95 40.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 62.51 110.917 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.735 HD12 ' HG ' ' A' ' 419' ' ' LEU . 2.8 tm? -54.88 -34.36 62.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 72.31 110.964 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.25 69.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 71.22 111.109 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.34 26.37 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 63.33 110.805 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 32.3 mt -120.08 113.89 21.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 71.02 110.975 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -84.92 54.44 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 65.43 110.879 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.54 135.64 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 70.11 111.116 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.3 t -80.12 171.25 15.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 45.24 111.143 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -35.94 73.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.84 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -59.27 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 74.44 110.904 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.79 -40.17 88.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.937 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.14 -51.03 71.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 62.03 111.103 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . 0.59 ' O ' HG23 ' B' ' 394' ' ' THR . 0.8 OUTLIER -53.41 -38.87 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 71.43 110.888 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -62.7 -35.34 79.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 54.25 110.872 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -95.17 35.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.834 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.59 HG23 ' O ' ' B' ' 391' ' ' GLN . 0.7 OUTLIER -52.6 -34.24 49.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 54.13 111.151 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.34 -50.55 69.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.861 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . 0.498 ' CE ' HD22 ' B' ' 352' ' ' LEU . 53.8 ttp -56.05 -39.42 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.899 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.821 ' HA ' HD12 ' B' ' 400' ' ' LEU . 61.6 mt -67.5 -38.78 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 71.44 111.163 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 19.3 m -62.16 -44.45 96.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 55.43 111.143 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 88.6 m -62.22 -36.3 81.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 71.54 111.156 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' B' ' 397' ' ' ILE . 18.0 mt -57.97 -36.36 72.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.904 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -75.99 -28.7 57.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 60.31 110.877 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -75.44 -35.68 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 72.14 110.891 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.962 HG22 HD11 ' A' ' 365' ' ' ILE . 35.4 pt -73.48 -1.4 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 52.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -34.57 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.87 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.1 -19.38 7.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 65.42 110.833 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.509 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.43 117.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 70.24 110.844 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -173.13 133.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 62.2 110.864 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.83 127.34 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.148 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 8.3 t -64.3 172.24 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.829 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -73.29 -31.74 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 73.33 110.872 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 27.7 t -53.07 -44.25 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.1 111.135 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.531 HD11 ' HB ' ' A' ' 370' ' ' VAL . 74.7 mt -74.01 -42.43 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.34 111.103 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 19.5 mtm -59.44 -42.44 91.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.13 110.88 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -73.74 -33.41 64.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.929 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . 0.539 ' HE3' HG23 ' A' ' 374' ' ' ILE . 22.4 mttm -72.07 -36.68 69.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.915 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 64.2 p -62.13 -49.08 77.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 61.13 110.866 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.9 m -52.41 -35.23 51.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 52.43 111.141 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 27.7 ttp -59.12 -51.21 71.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.917 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.432 HD22 ' N ' ' B' ' 419' ' ' LEU . 3.2 mm? -73.3 -35.88 66.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 43.52 110.914 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -60.49 -46.92 88.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 75.05 110.911 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -40.4 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.926 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -54.34 -48.39 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 71.45 110.923 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.6 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 21.0 m-85 -74.54 -36.3 63.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 54.34 110.898 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . 0.704 ' HD2' HD13 ' B' ' 444' ' ' LEU . 2.3 ttpm? -55.75 -50.28 70.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 71.03 110.908 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -35.57 56.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 62.42 110.9 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 8.4 mtm -75.54 -35.06 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.877 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -72.32 -36.92 69.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 71.21 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.53 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.4 pp -84.21 -35.25 23.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 72.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.53 ' N ' HD12 ' B' ' 428' ' ' LEU . 98.6 t 57.21 83.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.44 111.122 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . 0.426 ' N ' HD12 ' B' ' 428' ' ' LEU . . . 160.58 -135.7 4.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 42.01 112.482 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -119.78 122.01 40.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.391 . . . . 62.22 110.88 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -112.98 -125.46 4.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 64.44 112.512 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 58.29 95.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 74.12 110.837 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 17.0 p -170.82 173.79 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 63.33 110.857 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.08 160.28 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 65.41 111.142 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 31.1 mt -85.31 110.01 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.25 111.146 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 3.2 m -161.46 39.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.14 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 52.72 70.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 54.42 110.918 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 22.4 t -138.33 149.55 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.11 111.145 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.27 161.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.872 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . 0.619 ' ND2' HD12 ' B' ' 444' ' ' LEU . 2.6 t-20 63.07 161.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 71.33 110.875 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -115.3 -59.35 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 74.34 110.905 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -43.5 90.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 55.1 110.905 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . 0.704 HD13 ' HD2' ' B' ' 424' ' ' LYS . 23.7 mt -74.05 -35.63 64.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 73.22 110.917 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.5 -42.51 61.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.51 111.085 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -75.61 -36.1 60.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.921 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -61.59 -60.92 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 75.01 110.879 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -52.0 -35.6 47.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 73.21 110.884 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' B' ' 453' ' ' ALA . 5.3 tt0 -51.9 -48.88 63.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.938 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -82.64 -43.32 17.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 65.3 110.859 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -52.32 -59.24 4.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.856 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -36.11 83.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 65.55 110.85 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' B' ' 449' ' ' GLN . . . -52.6 -38.07 59.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 64.13 111.081 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -71.35 -36.98 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 73.42 110.902 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -80.77 134.32 35.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 72.25 110.918 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 7.2 t -140.05 139.99 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 63.12 111.114 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.66 -170.13 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 73.2 110.875 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 34.8 t0 63.4 104.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 72.44 110.853 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -140.44 35.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 60.35 110.875 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -112.58 51.49 0.7 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 71.53 112.476 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.28 129.83 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 72.41 110.87 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.35 139.07 44.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.935 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -174.73 -169.35 36.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 65.23 112.451 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 149.9 67.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 74.05 112.335 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -67.96 -41.78 81.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 71.54 110.884 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.94 164.35 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.925 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 61.23 110.915 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.871 0.367 . . . . 74.34 110.881 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.82 136.64 40.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 73.04 110.922 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -125.44 -170.35 2.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 50.24 111.1 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -151.81 147.5 26.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 74.12 111.087 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 14.7 p -167.77 142.61 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 73.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -179.33 -177.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 71.32 110.897 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.16 142.4 16.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 73.11 111.133 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 2.3 p -67.5 -58.1 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 60.3 110.886 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.64 -39.42 65.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 71.15 110.9 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.93 -35.19 64.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.887 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 10.1 t -69.68 -37.65 76.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 64.41 110.854 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.441 HH11 HD22 ' A' ' 383' ' ' LEU . 8.5 ptp180 -75.38 -34.27 61.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 74.54 110.873 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.445 HD23 ' CG ' ' A' ' 393' ' ' HIS . 1.4 mp -68.12 -47.36 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.52 110.943 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.31 -29.01 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.892 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -35.51 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.89 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 352' ' ' LEU . 94.4 mt -58.13 -42.29 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 73.14 111.123 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -72.14 -51.03 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.84 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.23 81.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 63.02 111.107 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -55.09 -54.42 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 64.34 110.882 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.441 ' CG1' ' HB3' ' A' ' 376' ' ' ALA . 34.0 mt -64.59 -33.26 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.098 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -52.33 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 71.35 110.907 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -74.82 -30.04 61.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 61.12 110.899 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.6 p -74.56 -7.5 53.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 73.51 110.864 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 42.0 mt -115.58 26.05 10.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 63.44 110.971 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 169.81 10.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.939 179.816 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 0.993 HD11 HG22 ' B' ' 403' ' ' ILE . 5.9 tp -84.26 -37.91 13.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.13 111.155 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.49 -31.73 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 72.25 110.855 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -109.81 36.53 2.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 65.54 110.874 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.51 HD13 ' CD2' ' B' ' 406' ' ' PHE . 19.3 tp -53.27 107.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 61.41 110.876 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.96 81.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.15 110.87 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.597 ' HB ' HD11 ' B' ' 412' ' ' ILE . 10.3 m -61.62 -26.82 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.152 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -51.91 -39.6 59.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.892 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -34.2 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.84 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 37.7 t -53.42 -59.07 5.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 70.04 110.901 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.52 -40.18 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 55.44 111.154 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.25 -39.72 76.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.928 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.441 ' HB3' ' CG1' ' A' ' 359' ' ' ILE . . . -76.83 -50.16 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.09 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.459 HD11 HG23 ' B' ' 412' ' ' ILE . 62.4 mt -52.18 -40.5 61.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 72.3 110.947 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -35.5 79.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 44.25 110.858 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -64.08 -50.02 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 34.12 110.858 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 1.007 HD23 HD13 ' B' ' 419' ' ' LEU . 7.0 tp -53.75 -48.87 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 52.31 110.913 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.58 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -54.62 -25.8 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 53.33 111.098 179.778 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.1 t -80.66 -33.04 35.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 74.33 110.835 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.441 HD22 HH11 ' A' ' 351' ' ' ARG . 62.7 mt -75.26 114.53 13.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 63.21 110.901 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -77.07 63.14 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.896 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . 0.498 HG23 ' HB3' ' A' ' 389' ' ' GLN . 7.0 p -66.94 134.91 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 44.12 111.104 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -88.44 174.02 8.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 72.12 111.125 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -39.25 85.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.854 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -59.04 -46.79 87.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 70.25 110.937 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . 0.498 ' HB3' HG23 ' A' ' 385' ' ' VAL . 0.4 OUTLIER -73.19 -42.64 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 70.44 110.932 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.5 -49.35 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.076 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.93 -36.18 48.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.907 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -69.97 -35.67 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.12 110.895 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.445 ' CG ' HD23 ' A' ' 352' ' ' LEU . 76.9 m80 -95.4 35.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 70.14 110.838 179.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.544 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.1 OUTLIER -51.55 -40.1 59.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 63.35 111.135 -179.933 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -55.79 -44.11 77.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 65.31 110.865 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 1.1 ttm -56.09 -46.11 79.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.899 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.753 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.2 mt -62.32 -44.54 99.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 64.34 111.154 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 17.6 m -54.22 -36.31 63.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 71.25 111.167 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 88.1 m -69.19 -35.75 76.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 64.32 111.138 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 397' ' ' ILE . 19.4 mt -61.38 -35.7 78.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 73.43 110.914 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -76.3 -28.63 57.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.05 110.948 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -75.64 -34.84 60.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 71.01 110.903 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.029 HG22 HD11 ' B' ' 365' ' ' ILE . 37.1 pt -73.99 -1.78 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.44 111.161 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -33.56 40.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 64.01 110.882 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.24 -18.52 7.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.899 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.49 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.8 OUTLIER -40.89 121.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.918 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.44 137.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.88 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.19 131.67 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 43.23 111.123 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.6 t -66.9 171.16 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.868 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -72.72 -34.63 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.894 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.1 p -53.23 -40.83 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 73.11 111.137 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.623 HD11 ' HB ' ' B' ' 370' ' ' VAL . 93.7 mt -73.67 -48.77 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.096 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 12.7 mtm -57.3 -33.73 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 65.12 110.867 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -49.35 26.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.863 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -62.65 -38.06 88.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.892 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 78.1 p -55.16 -50.22 69.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.836 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 60.7 m -53.93 -45.59 71.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 73.02 111.14 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.8 tpt -51.68 -49.73 61.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.885 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 1.013 HD13 HD23 ' B' ' 380' ' ' LEU . 32.6 mt -71.65 -35.86 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 71.2 110.937 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -61.81 -60.68 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.932 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -56.86 -39.81 74.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 73.14 110.923 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -53.2 -46.05 68.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.918 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -75.26 -36.18 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -52.88 -57.9 8.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.42 110.883 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -51.93 -35.4 45.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 44.24 110.965 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.78 -34.82 64.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.873 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.455 ' CZ ' HD13 ' B' ' 397' ' ' ILE . 3.3 m-85 -69.1 -36.1 77.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 65.35 110.885 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.4 pp -86.0 -34.88 20.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.9 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.549 ' N ' HD12 ' A' ' 428' ' ' LEU . 99.0 t 59.69 83.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 70.12 111.133 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . 0.424 ' N ' HD12 ' A' ' 428' ' ' LEU . . . 51.94 -108.61 0.66 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 25.3 112.448 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -166.63 -179.17 4.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 75.24 110.897 -179.842 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -93.52 -167.54 38.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 64.41 112.483 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.77 90.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 72.32 110.869 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.75 -169.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 75.02 110.845 -179.765 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 9.1 m -117.9 141.76 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 45.03 111.148 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 18.2 mt 67.51 149.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 70.31 111.088 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 14.5 t -151.15 144.3 24.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 73.3 111.125 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . 0.461 ' H ' HD23 ' A' ' 440' ' ' LEU . 0.9 OUTLIER 178.17 118.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.885 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 6.0 t 64.66 48.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 34.11 111.106 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.461 HD23 ' H ' ' A' ' 438' ' ' GLN . 1.9 mm? -91.32 -34.16 15.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 61.0 110.964 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.72 105.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 64.43 110.869 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -35.69 40.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 73.11 110.905 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 3.8 m -52.74 -54.75 29.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 75.3 110.87 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 54.0 mt -74.05 -36.52 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.92 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -59.27 -35.47 73.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.32 111.101 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.22 -60.41 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 72.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -70.42 -35.48 73.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.929 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -51.99 -63.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 53.15 110.872 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -56.09 -35.97 67.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.896 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -59.65 4.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.858 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -70.73 -40.36 72.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.88 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.95 -35.9 47.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 75.21 110.907 -179.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.93 -35.81 46.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 74.2 111.119 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.75 -37.24 9.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.901 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . 0.485 ' O ' HG23 ' A' ' 456' ' ' THR . 0.1 OUTLIER -73.44 162.72 28.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.899 179.875 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 455' ' ' LYS . 0.0 OUTLIER -178.0 123.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 60.34 111.139 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.09 -73.93 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 72.51 110.891 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -179.2 -170.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.839 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.13 142.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 44.03 110.92 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 144.66 154.42 6.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 70.4 112.51 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.56 -44.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 74.2 110.9 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.99 173.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 65.12 110.894 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -138.24 -77.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 54.43 112.49 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -173.96 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 72.11 112.349 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -104.68 47.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 63.41 110.877 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.9 -35.7 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.876 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 65.2 110.881 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.859 0.362 . . . . 74.43 110.881 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.91 136.54 40.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 74.02 110.872 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -125.46 -170.25 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 50.42 111.096 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -151.75 147.49 26.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.44 111.128 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 15.0 p -167.69 142.3 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 61.04 110.842 -179.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -179.2 -177.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 74.35 110.883 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.86 143.26 13.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 65.14 111.122 -179.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 2.3 p -68.65 -58.61 3.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 65.44 110.86 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -40.38 64.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 74.02 110.85 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -35.27 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.433 . . . . 75.42 110.886 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 9.9 t -69.22 -38.41 78.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 65.45 110.832 -179.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -75.11 -34.26 61.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 64.45 110.928 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' B' ' 383' ' ' LEU . 1.6 mp -67.76 -47.8 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 63.21 110.871 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.96 -28.99 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 64.41 110.924 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -35.92 57.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.908 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' B' ' 352' ' ' LEU . 88.5 mt -58.07 -42.03 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 75.43 111.119 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -71.94 -51.19 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.824 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.29 -42.12 81.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 75.04 111.101 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -54.99 -54.26 45.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.866 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.453 ' CG1' ' HB3' ' B' ' 376' ' ' ALA . 34.7 mt -64.63 -34.22 68.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 62.43 111.142 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -54.22 -52.18 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.3 110.884 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -74.84 -30.24 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.885 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.7 p -74.13 -7.63 53.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 71.21 110.814 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 47.8 mt -115.75 26.18 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 45.15 110.872 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 170.06 9.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.888 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.029 HD11 HG22 ' A' ' 403' ' ' ILE . 5.7 tp -84.29 -38.43 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.117 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.36 -31.64 15.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 64.14 110.878 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -109.75 36.55 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 65.1 110.914 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 406' ' ' PHE . 18.6 tp -53.38 107.4 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.923 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.1 81.85 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.903 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.623 ' HB ' HD11 ' A' ' 412' ' ' ILE . 10.7 m -62.06 -26.54 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 64.02 111.127 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -51.88 -39.58 59.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.891 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -34.36 59.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.82 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 47.2 t -53.24 -58.79 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 61.02 110.889 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.69 -40.45 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 64.33 111.079 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.92 -40.12 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 75.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.453 ' HB3' ' CG1' ' B' ' 359' ' ' ILE . . . -76.86 -49.77 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 73.15 111.129 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . 0.483 HD11 HG23 ' A' ' 412' ' ' ILE . 62.0 mt -52.15 -40.67 61.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.937 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -34.94 77.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 54.03 110.819 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -64.16 -49.41 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 62.51 110.869 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 1.013 HD23 HD13 ' A' ' 419' ' ' LEU . 7.6 tp -53.98 -49.91 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.904 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . 0.518 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -54.14 -25.98 25.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.129 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.1 t -79.73 -33.03 41.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 63.33 110.881 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' B' ' 352' ' ' LEU . 64.6 mt -76.02 115.06 15.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.12 -0.491 . . . . 71.02 110.956 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -77.16 63.32 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 65.43 110.906 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' B' ' 389' ' ' GLN . 7.0 p -66.93 134.9 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 70.11 111.13 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.5 t -88.51 173.77 8.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 45.24 111.116 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -40.11 88.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.841 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.16 -46.04 86.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 74.44 110.905 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . 0.493 ' HB3' HG23 ' B' ' 385' ' ' VAL . 0.4 OUTLIER -73.93 -41.47 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.92 -179.93 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.13 -49.78 75.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 62.03 111.101 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -51.74 -36.15 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 71.43 110.911 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -69.51 -36.01 76.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 54.25 110.892 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -95.41 35.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.813 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.527 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.1 OUTLIER -51.76 -40.41 60.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 54.13 111.151 -179.915 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -55.52 -41.59 73.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.94 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -49.2 77.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.908 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.75 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.2 mt -58.85 -44.84 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 71.44 111.124 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . 0.412 HG22 ' HE2' ' B' ' 402' ' ' LYS . 15.5 m -54.01 -36.29 62.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 55.43 111.171 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.2 m -69.53 -36.12 76.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 71.54 111.165 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' B' ' 397' ' ' ILE . 17.1 mt -62.2 -35.12 77.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.934 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.22 -28.8 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 60.31 110.864 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . 0.412 ' HE2' HG22 ' B' ' 398' ' ' THR . 46.6 mttm -75.46 -35.76 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 72.14 110.882 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.993 HG22 HD11 ' A' ' 365' ' ' ILE . 36.9 pt -72.96 -1.82 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 52.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.86 -34.25 45.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.35 110.816 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.18 -20.04 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 65.42 110.818 -179.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.51 ' CD2' HD13 ' A' ' 368' ' ' LEU . 0.3 OUTLIER -40.2 120.38 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 70.24 110.886 -179.912 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.33 134.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.2 110.879 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.4 p -59.22 134.4 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 71.22 111.147 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 32.8 t -70.26 172.42 8.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 64.22 110.879 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -73.01 -34.65 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.898 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . 0.409 HG13 HG13 ' B' ' 412' ' ' ILE . 5.3 p -53.09 -40.97 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 73.1 111.105 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.597 HD11 ' HB ' ' A' ' 370' ' ' VAL . 94.7 mt -73.65 -48.66 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 71.34 111.14 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 13.7 mtm -57.37 -33.44 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.892 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -51.16 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.862 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -61.08 -38.77 87.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 74.32 110.852 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 78.6 p -55.09 -50.1 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 61.13 110.837 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 61.7 m -52.76 -45.89 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 52.43 111.149 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 1.9 ttt -51.74 -55.01 22.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 74.22 110.885 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 1.007 HD13 HD23 ' A' ' 380' ' ' LEU . 36.0 mt -66.46 -35.94 81.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 43.52 110.879 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -61.15 -61.25 2.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.938 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -58.18 -38.8 77.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 72.53 110.86 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -53.18 -46.01 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.924 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -75.46 -35.85 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 54.34 110.911 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -52.81 -57.76 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 71.03 110.925 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -51.85 -35.43 44.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 62.42 110.913 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.73 -34.36 64.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.867 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.51 -36.39 76.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 71.21 110.868 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.554 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.4 pp -85.58 -35.07 21.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 72.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.554 ' N ' HD12 ' B' ' 428' ' ' LEU . 99.0 t 59.47 83.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.099 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . 0.422 ' N ' HD12 ' B' ' 428' ' ' LEU . . . 52.05 -109.13 0.78 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 42.01 112.497 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -163.06 -175.21 4.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 62.22 110.854 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -96.13 -167.25 34.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 64.44 112.529 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.19 83.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.819 0.342 . . . . 74.12 110.868 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.36 172.1 1.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 63.33 110.805 -179.76 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 9.3 m -104.5 68.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 65.41 111.134 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 47.4 mt -150.19 144.24 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 70.25 111.141 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 7.2 t -147.67 -173.79 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 73.13 111.166 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 67.38 121.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 54.42 110.905 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 11.3 t 60.61 54.91 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.15 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.12 -35.74 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.924 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.71 120.63 7.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 71.33 110.936 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.46 -37.59 11.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.889 179.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 3.7 m -52.47 -54.93 25.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 55.1 110.84 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 54.7 mt -70.21 -35.46 73.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.927 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -59.57 -35.46 74.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 72.51 111.11 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -55.24 -60.67 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 74.42 110.848 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -70.47 -35.61 73.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.88 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 5.9 ttp85 -52.1 -63.04 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.889 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -56.04 -36.22 67.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 73.21 110.928 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.19 -59.23 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 65.3 110.902 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -70.13 -41.05 74.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.906 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -35.96 47.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 65.55 110.872 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.48 -35.45 40.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 64.13 111.122 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.81 -36.8 9.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 73.42 110.868 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . 0.497 ' O ' HG23 ' B' ' 456' ' ' THR . 0.1 OUTLIER -73.48 163.08 28.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 72.25 110.881 179.908 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . 0.497 HG23 ' O ' ' B' ' 455' ' ' LYS . 0.0 OUTLIER -178.26 123.92 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 63.12 111.137 179.943 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.63 -74.54 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.899 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -179.17 -170.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.87 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.65 144.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 60.35 110.903 -179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 140.38 154.91 6.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.671 -0.776 . . . . 71.53 112.453 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.61 -74.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 72.41 110.886 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 156.94 30.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 72.34 110.907 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -113.98 -165.05 15.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 65.23 112.511 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 113.87 3.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 74.05 112.366 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -167.41 -39.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.901 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.3 -46.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.923 179.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 61.23 110.877 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.911 0.386 . . . . 74.34 110.867 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.47 98.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 73.04 110.881 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -178.28 -75.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 50.24 111.101 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . 58.37 96.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.12 111.122 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.43 115.33 13.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 73.0 110.902 -179.81 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.49 -68.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 71.32 110.9 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.25 170.44 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 73.11 111.202 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 1.4 m -63.21 -48.06 79.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 60.3 110.893 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.8 tpt -53.47 -43.65 68.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 71.15 110.858 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.45 -36.04 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.881 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 57.9 m -63.87 -41.14 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.843 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -33.33 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.879 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.709 ' HA ' HD12 ' A' ' 355' ' ' ILE . 13.0 mt -71.23 -46.99 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.52 110.916 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -58.11 -27.55 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.925 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -77.02 -36.5 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.878 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 352' ' ' LEU . 23.3 mt -64.04 -36.96 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 73.14 111.109 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -71.99 -46.59 56.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.893 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.83 -39.42 83.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 63.02 111.099 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.98 -42.17 72.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 64.34 110.857 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.423 HG22 HD12 ' A' ' 363' ' ' LEU . 25.0 mt -74.4 -29.2 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 73.32 111.132 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -58.66 -52.2 66.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 71.35 110.911 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -73.35 -31.22 63.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 61.12 110.877 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.7 p -74.61 -6.24 47.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 73.51 110.86 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.423 HD12 HG22 ' A' ' 359' ' ' ILE . 38.9 mt -117.28 26.01 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 63.44 110.875 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 169.34 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.893 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 1.029 HD11 HG22 ' B' ' 403' ' ' ILE . 5.8 tp -84.46 -38.61 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.13 111.147 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.16 -32.68 15.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.25 110.875 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -109.97 36.55 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 65.54 110.865 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' B' ' 406' ' ' PHE . 16.7 tp -53.18 107.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 61.41 110.914 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -129.05 77.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.902 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.77 ' HB ' HD11 ' B' ' 412' ' ' ILE . 15.3 m -59.22 -28.31 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 73.32 111.128 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -52.14 -39.19 59.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.873 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -33.95 60.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.85 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 32.7 t -53.37 -58.28 7.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 70.04 110.876 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.42 -47.36 58.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 55.44 111.122 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.35 -35.05 36.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.874 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.535 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.95 -51.22 11.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.24 111.078 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.88 -35.05 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 72.3 110.869 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -49.03 76.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 44.25 110.841 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.86 -46.47 87.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 34.12 110.888 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.597 HD11 ' HZ ' ' B' ' 423' ' ' PHE . 1.4 tm? -52.3 -47.73 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 52.31 110.948 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.68 76.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 53.33 111.05 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -73.71 -36.13 65.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.849 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 58.7 mt -67.71 110.58 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 63.21 110.916 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -77.37 61.52 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 74.02 110.923 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.4 p -70.22 138.28 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 44.12 111.152 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.9 t -93.92 173.16 7.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 72.12 111.102 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 11.6 tpt -57.04 -38.55 73.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.851 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -51.85 -59.17 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 70.25 110.895 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.19 -36.17 82.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 70.44 110.885 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.39 -49.31 74.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 73.34 111.14 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.46 -35.83 41.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.892 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 -34.09 59.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.853 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -95.09 35.59 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 70.14 110.875 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.576 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.9 OUTLIER -58.15 -35.18 71.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 63.35 111.127 -179.873 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.04 -42.89 91.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.884 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.617 ' HE1' HD22 ' A' ' 352' ' ' LEU . 11.9 ttp -55.19 -49.05 72.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.914 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.3 mt -58.23 -42.36 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 64.34 111.09 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 17.5 m -54.05 -37.52 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 71.25 111.173 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 73.5 m -70.36 -42.08 72.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 64.32 111.16 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 397' ' ' ILE . 32.0 mt -53.49 -38.98 64.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.932 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -76.23 -28.76 57.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 75.05 110.937 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -75.59 -34.51 60.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 71.01 110.874 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.061 HG22 HD11 ' B' ' 365' ' ' ILE . 40.8 pt -75.14 -2.22 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.44 111.098 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -34.5 54.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 64.01 110.929 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.75 -12.58 9.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.891 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.588 ' CD1' HD13 ' B' ' 368' ' ' LEU . 3.4 t80 -44.27 115.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.928 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -174.04 138.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.945 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.1 p -67.49 134.4 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 43.23 111.129 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 36.9 t -69.22 168.28 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.85 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -70.74 -36.11 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.903 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.5 p -53.42 -38.62 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 73.11 111.131 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.64 HD11 ' HB ' ' B' ' 370' ' ' VAL . 91.1 mt -75.0 -45.34 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.148 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 15.2 mtm -59.33 -51.32 70.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.12 110.882 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -62.91 -35.56 80.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.831 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -70.91 -38.62 72.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 75.21 110.862 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . 0.479 ' HB2' HD11 ' B' ' 403' ' ' ILE . 49.2 p -61.04 -47.46 86.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 71.33 110.914 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 71.9 m -53.33 -41.42 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 73.02 111.099 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 3.7 ttp -55.21 -46.66 75.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.21 110.894 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.445 HD22 HD12 ' B' ' 380' ' ' LEU . 67.5 mt -74.32 -41.48 61.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 71.2 110.913 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -53.07 -54.47 35.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.945 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -63.08 -36.07 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 73.14 110.899 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -53.45 -53.52 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.31 110.898 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.576 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 21.6 m-85 -71.39 -36.02 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 74.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -56.35 -45.12 80.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 63.42 110.912 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.17 -35.43 77.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 44.24 110.923 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 17.0 mtm -76.05 -35.18 59.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 74.21 110.913 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -73.01 -36.98 67.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 65.35 110.877 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.4 pp -84.27 -34.98 23.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.911 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.508 ' N ' HD12 ' A' ' 428' ' ' LEU . 96.5 t 56.58 94.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 70.12 111.149 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -167.58 -38.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.734 . . . . 25.3 112.505 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 62.96 40.8 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 75.24 110.867 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -176.8 -39.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 64.41 112.477 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 10.8 t70 62.83 101.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 72.32 110.891 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 4.5 t -134.13 169.88 16.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 75.02 110.858 -179.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 2.0 m -49.75 102.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 45.03 111.126 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.413 ' C ' HG23 ' A' ' 437' ' ' THR . 50.2 mt -151.04 -74.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 70.31 111.11 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 436' ' ' ILE . 1.3 p 63.16 156.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.3 111.149 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 65.22 69.91 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.931 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 439' ' ' VAL . 8.7 p -168.47 37.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 34.11 111.151 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.76 92.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 61.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -171.36 -40.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 64.43 110.886 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 13.72 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.917 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 43.3 p -57.53 -55.12 38.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 75.3 110.88 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.04 -47.32 37.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 75.3 110.948 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -53.11 -35.59 59.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 72.32 111.099 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -39.12 78.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 72.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -52.0 -53.79 37.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 64.54 110.885 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -75.11 -35.65 61.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 53.15 110.858 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -51.7 -35.85 44.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.885 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -36.24 80.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.869 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -55.57 5.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 75.33 110.878 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -52.37 -36.29 53.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.891 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.89 -36.55 49.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 74.2 111.145 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -58.75 -42.56 89.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.873 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -58.08 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.915 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 91.2 m -52.2 142.0 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 60.34 111.15 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.58 45.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 72.51 110.896 179.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.76 154.81 2.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 75.11 110.825 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -89.88 166.04 13.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 44.03 110.893 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -142.76 -59.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 70.4 112.491 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.77 141.53 31.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 74.2 110.889 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -87.71 170.51 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 65.12 110.899 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 164.07 177.93 37.2 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.757 -0.735 . . . . 54.43 112.485 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 86.28 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 72.11 112.348 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -116.37 135.59 53.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 63.41 110.901 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.85 -41.19 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.886 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 65.2 110.903 179.903 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.901 0.381 . . . . 74.43 110.856 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.56 92.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 74.02 110.9 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -169.25 -66.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 50.42 111.096 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . 63.69 97.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 75.44 111.125 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.52 120.38 26.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 61.04 110.838 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.61 -65.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 74.35 110.909 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.19 170.58 4.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 65.14 111.129 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 1.4 m -65.25 -48.14 74.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 65.44 110.901 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.8 tpt -53.22 -43.61 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 74.02 110.877 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.99 -36.88 67.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.858 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 57.8 m -62.62 -41.37 98.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 65.45 110.842 -179.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -33.67 62.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 64.45 110.884 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.8 ' HA ' HD12 ' B' ' 355' ' ' ILE . 13.8 mt -71.33 -47.64 55.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 63.21 110.9 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -58.37 -29.17 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.41 110.901 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -74.69 -37.7 62.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 71.42 110.843 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' B' ' 352' ' ' LEU . 13.7 mt -63.38 -35.95 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.43 111.116 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -71.54 -44.02 65.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.87 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.58 77.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 75.04 111.085 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.13 -42.93 73.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.89 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.411 HG22 HD12 ' B' ' 363' ' ' LEU . 29.6 mt -71.97 -34.49 50.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 62.43 111.13 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -56.71 -48.05 78.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 74.3 110.887 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.65 -31.54 59.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 75.2 110.88 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 5.8 p -75.82 -5.68 47.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.849 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.411 HD12 HG22 ' B' ' 359' ' ' ILE . 45.8 mt -118.1 26.39 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 45.15 110.911 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 170.97 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.917 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.061 HD11 HG22 ' A' ' 403' ' ' ILE . 5.2 tp -84.4 -40.4 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 74.33 111.134 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.401 ' N ' HG23 ' B' ' 365' ' ' ILE . 10.4 p-10 -91.29 -32.27 15.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 64.14 110.863 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -109.05 36.47 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 65.1 110.882 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.588 HD13 ' CD1' ' A' ' 406' ' ' PHE . 15.7 tp -53.39 107.4 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.919 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -131.76 81.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.857 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.64 ' HB ' HD11 ' A' ' 412' ' ' ILE . 8.9 m -61.69 -26.79 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 64.02 111.128 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -51.96 -39.54 59.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.842 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -33.79 60.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 64.21 110.899 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 23.7 t -53.12 -57.93 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 61.02 110.891 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.49 -46.17 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 64.33 111.113 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.67 -35.44 42.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 75.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.65 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.9 -50.27 13.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 73.15 111.132 179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . 0.491 HD11 HG23 ' A' ' 412' ' ' ILE . 19.2 mt -52.09 -35.55 48.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.878 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.86 -48.92 74.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 54.03 110.868 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.41 -46.63 86.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 62.51 110.866 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.576 HD11 ' HZ ' ' A' ' 423' ' ' PHE . 0.9 OUTLIER -52.47 -50.48 62.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.925 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -58.92 -34.02 71.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 71.22 111.075 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 1.2 t -74.37 -36.69 63.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 63.33 110.851 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.33 110.51 3.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 71.02 110.895 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.7 60.68 2.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 65.43 110.91 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -69.76 137.92 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 70.11 111.114 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.8 t -92.91 173.33 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 45.24 111.11 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 11.5 tpt -57.49 -38.43 74.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 75.31 110.93 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -51.78 -58.19 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.907 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -67.1 -36.24 81.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.906 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.61 75.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 62.03 111.124 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -52.0 -35.87 48.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 71.43 110.904 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -35.25 61.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 54.25 110.873 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -95.17 35.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.844 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.475 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.9 OUTLIER -58.3 -35.32 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 54.13 111.128 -179.86 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -41.27 85.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.866 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . 0.686 ' HE1' HD22 ' B' ' 352' ' ' LEU . 8.9 ttp -55.36 -52.06 64.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.844 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.75 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.9 mp -54.68 -44.18 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 71.44 111.142 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 19.8 m -54.03 -35.28 61.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 55.43 111.194 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 69.5 m -72.68 -40.42 66.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 71.54 111.2 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' B' ' 397' ' ' ILE . 19.4 mt -57.44 -37.32 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.923 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -75.65 -28.61 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 60.31 110.904 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.69 -36.25 60.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.871 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 1.029 HG22 HD11 ' A' ' 365' ' ' ILE . 38.5 pt -73.23 -0.84 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 52.0 111.168 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.74 -35.12 45.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.903 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.53 -19.0 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 65.42 110.848 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -39.93 117.66 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 70.24 110.911 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.35 141.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 62.2 110.936 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.418 HG13 ' CE2' ' A' ' 406' ' ' PHE . 15.6 m -69.4 133.86 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 71.22 111.116 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 36.1 t -69.11 164.7 21.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 64.22 110.883 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -63.7 -35.49 80.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.947 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -53.63 -36.52 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 73.1 111.12 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.77 HD11 ' HB ' ' A' ' 370' ' ' VAL . 91.5 mt -74.47 -46.64 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.34 111.137 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 14.1 mtm -61.34 -52.26 65.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 75.13 110.903 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.33 -36.17 75.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.925 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -71.19 -39.37 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.874 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.506 ' HB2' HD11 ' A' ' 403' ' ' ILE . 41.1 p -60.42 -48.42 81.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 61.13 110.885 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 57.6 m -52.5 -42.36 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 52.43 111.174 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 3.7 ttp -54.73 -46.47 74.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.22 110.913 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.507 HD22 HD12 ' A' ' 380' ' ' LEU . 60.2 mt -74.03 -42.69 59.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 43.52 110.923 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -51.14 -57.52 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 75.05 110.92 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -58.86 -35.34 72.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.869 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -54.55 -53.53 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.95 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.597 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 94.0 m-85 -70.52 -37.01 74.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 54.34 110.861 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -56.81 -45.88 81.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 71.03 110.927 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -35.94 76.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 62.42 110.901 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 17.7 mtm -76.63 -34.98 58.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.894 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.4 -36.05 65.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.94 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.507 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.3 pp -85.16 -35.4 21.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 72.0 110.943 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.507 ' N ' HD12 ' B' ' 428' ' ' LEU . 98.7 t 56.27 93.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 74.44 111.14 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -167.35 -36.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 42.01 112.491 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 62.98 35.76 13.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 62.22 110.888 -179.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -173.17 -40.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 64.44 112.513 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 10.7 t70 52.35 88.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 74.12 110.871 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 4.1 t -148.6 118.16 7.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 63.33 110.87 -179.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.41 HG12 ' N ' ' B' ' 436' ' ' ILE . 3.1 t 62.66 160.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 65.41 111.142 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.515 ' O ' HG23 ' B' ' 437' ' ' THR . 17.2 mt 67.33 154.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 70.25 111.133 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.515 HG23 ' O ' ' B' ' 436' ' ' ILE . 0.0 OUTLIER -179.33 87.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.13 111.11 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 178.0 46.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 54.42 110.935 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 16.3 t -144.72 56.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.11 111.117 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.12 99.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.919 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -174.64 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 71.33 110.834 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.13 13.35 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.872 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 43.8 p -57.77 -55.02 40.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 55.1 110.813 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.57 -46.1 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 73.22 110.937 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.88 64.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 72.51 111.111 179.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.47 -39.24 79.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.856 -179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -51.92 -52.13 52.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 75.01 110.935 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -76.34 -36.0 58.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.831 -179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -51.99 -36.24 49.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.93 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -36.44 82.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 65.3 110.852 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -54.76 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 75.43 110.848 -179.891 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -53.43 -36.28 61.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 65.55 110.89 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.92 -36.17 48.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 64.13 111.17 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -58.9 -42.39 89.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.42 110.89 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -58.05 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 72.25 110.925 179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 90.2 m -52.54 141.66 19.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.12 111.154 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.15 45.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 73.2 110.874 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.65 154.73 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 72.44 110.83 179.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -89.75 166.15 13.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 60.35 110.897 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -142.63 -59.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 71.53 112.473 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.85 141.52 31.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 72.41 110.877 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -87.53 170.43 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.91 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 164.04 177.98 37.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 65.23 112.495 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 86.01 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 74.05 112.336 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -116.13 135.29 54.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 71.54 110.907 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.67 -41.08 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.847 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 61.23 110.899 179.903 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.819 0.342 . . . . 74.34 110.846 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -172.59 162.22 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 73.04 110.84 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -175.28 172.14 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 50.24 111.093 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -117.46 -67.25 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.106 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 54.1 75.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.0 110.85 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -139.13 173.81 11.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 71.32 110.921 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.04 170.12 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.11 111.119 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -57.76 4.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 60.3 110.867 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.27 -38.58 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 71.15 110.922 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.56 -34.25 62.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 75.24 110.847 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 28.6 t -70.6 -37.46 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.879 -179.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.661 ' CZ ' HD21 ' A' ' 383' ' ' LEU . 9.7 ptm180 -75.0 -34.15 61.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 74.54 110.93 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.558 ' HA ' HD12 ' A' ' 355' ' ' ILE . 0.9 OUTLIER -69.87 -47.54 62.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.895 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -57.6 -30.77 65.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.904 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -77.1 -37.21 54.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.873 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' A' ' 352' ' ' LEU . 20.3 mt -64.96 -41.87 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 73.14 111.129 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -72.32 -41.6 66.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.855 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.37 -39.72 77.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 63.02 111.106 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.86 -45.63 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 64.34 110.888 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 33.7 mt -66.0 -32.54 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 73.32 111.111 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -54.54 -52.34 62.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 71.35 110.916 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -75.42 -26.9 58.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 61.12 110.857 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 1.4 p -77.52 -4.62 46.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.51 110.88 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 50.8 mt -120.11 25.75 9.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 63.44 110.965 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 169.91 10.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.13 110.925 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 1.042 HD11 HG22 ' B' ' 403' ' ' ILE . 6.0 tp -84.43 -38.49 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.13 111.131 179.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -92.43 -32.2 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.919 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -110.88 36.6 3.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 65.54 110.817 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . . . . . . . . . 18.8 tp -53.15 107.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 61.41 110.845 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -127.77 76.96 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 74.15 110.896 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.761 ' HB ' HD11 ' B' ' 412' ' ' ILE . 15.0 m -58.83 -28.25 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.079 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -41.48 62.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.9 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -75.73 -35.3 60.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.871 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 49.3 t -53.72 -45.94 70.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 70.04 110.88 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . 0.508 HG23 ' HE3' ' B' ' 415' ' ' LYS . 4.1 mt -65.52 -48.19 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 55.44 111.132 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -51.7 -34.16 37.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.873 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.427 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.74 -53.84 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.094 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 20.6 mt -51.99 -35.78 47.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 72.3 110.9 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -44.09 91.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 44.25 110.836 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -46.59 89.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 34.12 110.901 -179.893 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.552 HD11 ' HZ ' ' B' ' 423' ' ' PHE . 1.1 tm? -52.23 -53.84 38.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 52.31 110.903 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.487 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -56.39 -35.24 67.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 53.33 111.088 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 2.3 t -66.27 -34.75 78.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.838 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.661 HD21 ' CZ ' ' A' ' 351' ' ' ARG . 84.3 mt -73.79 139.65 45.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 63.21 110.953 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -101.77 56.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.02 110.913 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.81 140.6 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 44.12 111.148 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 13.1 t -98.39 170.13 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.12 111.17 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -34.9 56.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.895 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -52.74 -59.25 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 70.25 110.943 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -36.38 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 70.44 110.903 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.99 84.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.34 111.104 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . 0.549 ' O ' HG23 ' A' ' 394' ' ' THR . 21.7 mt-30 -51.42 -36.19 42.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 75.25 110.942 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -75.51 -34.15 60.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.906 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.518 ' CG ' HD23 ' A' ' 352' ' ' LEU . 74.0 m80 -95.18 35.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 70.14 110.902 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 391' ' ' GLN . 1.8 p -57.95 -34.98 70.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 63.35 111.149 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.05 -42.61 90.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 65.31 110.892 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 36.5 ttp -55.32 -49.63 71.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.857 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.2 mt -57.41 -41.89 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 64.34 111.106 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 2.3 m -54.13 -37.53 64.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 71.25 111.186 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 91.5 m -70.95 -40.82 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 64.32 111.097 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 397' ' ' ILE . 36.7 mt -54.27 -38.03 65.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.925 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -76.48 -28.55 56.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 75.05 110.912 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -75.51 -34.64 60.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 71.01 110.89 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.055 HG22 HD11 ' B' ' 365' ' ' ILE . 38.2 pt -74.49 -2.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.163 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -34.13 58.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 64.01 110.878 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.43 -12.7 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.867 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.582 ' CE2' HD13 ' B' ' 368' ' ' LEU . 5.9 t80 -44.44 114.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.912 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -173.29 139.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 74.21 110.879 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 3.1 p -66.31 134.59 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 43.23 111.123 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.1 t -68.35 171.62 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.852 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -74.67 -32.94 62.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.925 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.6 p -58.62 -37.08 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 73.11 111.178 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.626 HD11 ' HB ' ' B' ' 370' ' ' VAL . 84.7 mt -75.16 -45.18 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.31 111.16 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 15.4 mtm -58.54 -49.88 75.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 65.12 110.919 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.05 -33.99 77.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 73.25 110.891 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.514 ' HE3' HG23 ' B' ' 374' ' ' ILE . 31.8 mttm -70.95 -35.83 72.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.886 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . 0.453 ' HB2' HD11 ' B' ' 403' ' ' ILE . 52.4 p -63.63 -47.83 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.869 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 91.8 m -52.58 -41.71 63.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 73.02 111.122 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -52.21 -49.92 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.884 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' B' ' 381' ' ' ALA . 53.0 mt -74.35 -38.52 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 71.2 110.907 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -55.22 -45.46 75.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.975 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -36.24 70.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.936 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -55.48 -51.01 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.907 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.493 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 76.9 m-85 -73.76 -35.39 65.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 74.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -62.83 -36.37 82.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 63.42 110.91 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.27 -46.58 88.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 44.24 110.892 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 14.7 ptp -78.03 -33.33 51.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.843 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.451 ' CZ ' HG22 ' B' ' 394' ' ' THR . 1.9 m-85 -66.47 -36.21 82.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 65.35 110.834 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 1.7 pp -85.56 -33.42 21.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.894 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 96.8 t 60.18 96.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 70.12 111.176 179.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -61.83 127.01 40.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 25.3 112.489 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.52 -41.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 75.24 110.923 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -104.28 -45.04 1.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 64.41 112.515 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -171.82 110.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 72.32 110.888 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 39.6 t -157.43 62.83 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.844 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.616 HG13 HG13 ' A' ' 436' ' ' ILE . 7.9 p -168.68 155.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 45.03 111.077 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.616 HG13 HG13 ' A' ' 435' ' ' VAL . 16.2 mt 68.29 156.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 70.31 111.123 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.407 ' N ' HG22 ' A' ' 436' ' ' ILE . 0.2 OUTLIER 56.57 -170.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 73.3 111.156 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.25 160.19 14.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.927 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 27.7 m -146.9 -176.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 34.11 111.112 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.3 -69.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 61.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . 0.451 ' C ' ' HB2' ' A' ' 445' ' ' ALA . 0.6 OUTLIER -179.39 -173.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 64.43 110.893 179.933 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.12 -68.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.912 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.47 -55.04 7.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.873 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 2.0 mt -66.19 -33.83 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 75.3 110.963 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.451 ' HB2' ' C ' ' A' ' 441' ' ' ASN . . . -50.96 -33.91 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.088 179.794 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -55.07 -58.99 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 72.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -48.0 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 64.54 110.909 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -35.48 42.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 53.15 110.887 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -36.0 43.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.931 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -73.03 -35.77 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.51 110.872 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -59.2 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 75.33 110.919 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.82 -36.11 46.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.864 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.53 42.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.2 111.061 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -76.31 -36.9 58.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.14 110.866 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -172.29 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.86 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 22.1 p -142.69 -172.84 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 60.34 111.167 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.63 -179.68 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.893 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -174.6 132.85 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 75.11 110.868 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -169.54 175.03 5.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 44.03 110.927 -179.888 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -141.15 -168.52 11.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 70.4 112.519 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.05 -172.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 74.2 110.945 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -173.93 142.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 65.12 110.904 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 135.47 -172.86 21.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 54.43 112.467 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -41.12 4.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.233 . . . . 72.11 112.316 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.76 108.74 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 63.41 110.912 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -93.05 -61.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.909 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 65.2 110.907 179.843 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.86 0.362 . . . . 74.43 110.888 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -172.63 162.22 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 74.02 110.92 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -175.15 172.17 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 50.42 111.052 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -117.94 -67.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 75.44 111.133 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 54.51 75.81 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.04 110.875 -179.786 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -139.09 174.24 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.35 110.915 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.31 170.16 6.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 65.14 111.105 -179.885 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -56.21 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 65.44 110.868 -179.865 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.43 -38.44 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 74.02 110.884 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.18 -34.67 63.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.42 110.865 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 28.9 t -69.82 -35.9 75.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 65.45 110.897 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -76.63 -32.38 57.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 64.45 110.882 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.467 HD23 ' CG ' ' B' ' 393' ' ' HIS . 1.0 OUTLIER -73.76 -43.38 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 63.21 110.945 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -61.06 -40.45 93.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.959 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -70.88 -35.23 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 71.42 110.899 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . . . . . . . . . 33.1 mt -65.4 -41.49 91.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 75.43 111.136 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -72.29 -38.39 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.852 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -70.83 -39.48 72.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 75.04 111.079 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.81 -43.35 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.897 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.405 HG23 ' SG ' ' B' ' 373' ' ' CYS . 30.5 mt -67.02 -35.5 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 62.43 111.106 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -55.96 -49.6 73.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.888 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -74.95 -29.52 60.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 75.2 110.901 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 4.1 p -77.78 -3.87 43.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 71.21 110.834 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 50.3 mt -120.61 26.28 9.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 45.15 110.94 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 171.24 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 72.41 110.88 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.055 HD11 HG22 ' A' ' 403' ' ' ILE . 5.6 tp -84.48 -39.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.116 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.407 ' N ' HG23 ' B' ' 365' ' ' ILE . 12.4 p-10 -91.97 -31.78 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 64.14 110.842 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -109.87 36.45 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 65.1 110.88 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.582 HD13 ' CE2' ' A' ' 406' ' ' PHE . 17.4 tp -53.1 107.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.939 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -129.85 80.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.12 110.838 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.626 ' HB ' HD11 ' A' ' 412' ' ' ILE . 8.8 m -61.18 -26.47 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 64.02 111.095 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -41.71 62.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.914 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -75.85 -35.01 60.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 64.21 110.876 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.405 ' SG ' HG23 ' B' ' 359' ' ' ILE . 41.9 t -53.71 -45.67 70.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 61.02 110.905 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.514 HG23 ' HE3' ' A' ' 415' ' ' LYS . 4.4 mt -65.41 -47.66 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 64.33 111.166 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.92 -35.45 45.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 75.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . . . . . . . . . . . -74.0 -54.01 8.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 73.15 111.079 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.16 -35.98 50.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.945 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.63 -42.24 95.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 54.03 110.877 179.836 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -47.82 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 62.51 110.886 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.493 HD11 ' HZ ' ' A' ' 423' ' ' PHE . 1.2 tm? -52.4 -54.36 33.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 72.31 110.888 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . 0.459 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -55.3 -34.93 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.103 179.84 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 2.3 t -68.32 -35.19 77.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 63.33 110.865 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.01 139.25 46.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 71.02 110.903 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -101.28 56.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 65.43 110.956 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.06 140.54 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 70.11 111.149 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.2 t -97.91 170.94 8.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 45.24 111.171 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -35.65 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.857 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -52.54 -59.15 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.94 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -36.03 75.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.927 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.27 87.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 62.03 111.085 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . 0.582 ' O ' HG23 ' B' ' 394' ' ' THR . 21.5 mt-30 -51.73 -35.79 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.43 110.887 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -75.5 -34.99 60.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 54.25 110.892 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . 0.467 ' CG ' HD23 ' B' ' 352' ' ' LEU . 72.7 m80 -95.14 35.68 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.837 179.894 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.582 HG23 ' O ' ' B' ' 391' ' ' GLN . 2.8 p -58.64 -37.6 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 54.13 111.128 -179.919 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.77 -42.49 75.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.34 110.901 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . 0.403 ' HE3' HD21 ' B' ' 380' ' ' LEU . 39.7 ttp -55.35 -50.97 68.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.932 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' B' ' 400' ' ' LEU . 3.3 mt -57.55 -36.49 54.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.119 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 2.4 m -57.71 -36.33 71.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 55.43 111.126 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.1 m -74.03 -40.36 62.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 71.54 111.151 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' B' ' 397' ' ' ILE . 49.1 mt -51.98 -38.95 58.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.11 110.899 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -75.75 -28.93 58.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 60.31 110.85 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -74.68 -36.4 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.884 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 1.042 HG22 HD11 ' A' ' 365' ' ' ILE . 35.7 pt -73.38 -0.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 52.0 111.089 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -34.49 41.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 71.35 110.88 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.55 -19.27 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 65.42 110.847 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.479 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.1 OUTLIER -39.83 117.83 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 70.24 110.888 -179.907 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -175.07 142.36 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 62.2 110.888 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 19.4 m -71.28 132.01 33.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.125 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 34.7 t -67.42 164.83 17.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.864 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -63.45 -35.11 79.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 73.33 110.917 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.8 p -54.32 -35.83 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 73.1 111.147 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.761 HD11 ' HB ' ' A' ' 370' ' ' VAL . 95.3 mt -74.68 -47.52 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 71.34 111.165 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 12.6 mtt -60.89 -50.6 72.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.91 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -61.72 -34.58 76.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.91 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . 0.508 ' HE3' HG23 ' A' ' 374' ' ' ILE . 33.9 mttm -73.02 -35.08 66.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 74.32 110.884 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.497 ' HB2' HD11 ' A' ' 403' ' ' ILE . 36.5 p -63.57 -48.37 77.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 61.13 110.897 -179.878 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 91.7 m -52.36 -41.32 62.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 52.43 111.153 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -52.55 -50.35 63.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.22 110.834 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 381' ' ' ALA . 53.9 mt -74.11 -37.86 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 43.52 110.936 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -56.43 -44.05 80.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.05 110.929 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -38.18 65.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 72.53 110.854 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -53.71 -51.09 64.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 71.45 110.9 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.552 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 21.4 m-85 -74.9 -34.24 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 54.34 110.838 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . 0.407 ' O ' HD23 ' B' ' 428' ' ' LEU . 13.6 tttm -62.99 -34.82 78.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.03 110.907 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.07 -46.17 91.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 62.42 110.895 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 14.5 ptp -77.55 -33.24 54.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.854 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -66.41 -36.23 82.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 71.21 110.872 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.577 HD11 ' OG ' ' B' ' 434' ' ' SER . 1.6 pp -85.72 -33.08 21.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 72.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 97.3 t 60.1 97.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.09 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -62.29 125.72 36.51 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 42.01 112.46 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.65 -46.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 62.22 110.872 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -103.35 -38.13 2.91 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 64.44 112.426 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -174.86 97.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.797 0.332 . . . . 74.12 110.894 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . 0.577 ' OG ' HD11 ' B' ' 428' ' ' LEU . 42.6 t -130.35 35.75 4.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 63.33 110.888 -179.759 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.585 ' O ' HG23 ' B' ' 436' ' ' ILE . 3.5 p -155.68 115.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 65.41 111.108 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.585 HG23 ' O ' ' B' ' 435' ' ' VAL . 0.7 OUTLIER -169.57 -178.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 70.25 111.123 179.908 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 73.13 111.121 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -114.21 160.8 18.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 54.42 110.926 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 27.4 m -150.72 -178.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 74.11 111.138 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.14 -74.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.913 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . 0.441 ' C ' ' HB2' ' B' ' 445' ' ' ALA . 0.6 OUTLIER -177.58 -175.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 71.33 110.903 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.24 -68.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.903 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.79 -55.11 8.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 55.1 110.886 -179.88 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 2.0 mt -66.06 -33.95 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 73.22 110.924 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . 0.441 ' HB2' ' C ' ' B' ' 441' ' ' ASN . . . -50.73 -33.72 24.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 72.51 111.14 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -55.18 -60.42 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.858 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -48.41 41.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 75.01 110.907 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -35.17 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.888 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -35.91 44.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 73.21 110.885 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -72.96 -36.73 67.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 65.3 110.901 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.97 -59.15 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.86 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.81 -36.06 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 65.55 110.884 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.53 42.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 64.13 111.125 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -76.35 -36.71 58.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.874 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -171.66 3.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.25 110.901 179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 22.4 p -143.29 -173.35 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 63.12 111.128 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -179.72 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.905 179.926 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -174.54 132.66 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 72.44 110.911 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -169.48 174.88 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 60.35 110.874 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -141.04 -168.57 11.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.697 -0.763 . . . . 71.53 112.503 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.91 -172.92 2.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 72.41 110.863 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -173.94 141.83 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 72.34 110.869 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 135.7 -172.84 22.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.735 . . . . 65.23 112.495 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -41.21 4.43 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.703 2.269 . . . . 74.05 112.309 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.61 108.73 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 71.54 110.9 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -93.09 -61.28 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.894 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 61.23 110.921 179.866 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.832 0.349 . . . . 74.34 110.876 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -179.07 158.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 73.04 110.911 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -169.53 174.59 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 50.24 111.117 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -136.11 -71.65 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 74.12 111.091 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.92 -174.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 73.0 110.865 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 60.0 -179.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 71.32 110.905 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.73 159.91 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.185 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 66.6 m -69.4 -59.47 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 60.3 110.808 -179.834 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.8 tpt -53.51 -37.74 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 71.15 110.904 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.61 -35.75 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 75.24 110.891 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 13.1 t -67.95 -37.48 81.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 64.41 110.894 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.443 HH11 HD22 ' A' ' 383' ' ' LEU . 8.5 ptp180 -75.94 -33.84 59.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.54 110.851 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.675 ' HA ' HD12 ' A' ' 355' ' ' ILE . 1.5 mp -71.21 -47.98 54.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.904 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -55.6 -29.8 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 72.33 110.897 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.0 -41.17 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.859 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 352' ' ' LEU . 23.3 mt -58.54 -41.08 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.122 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -72.02 -46.57 56.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.853 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.01 97.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 63.02 111.083 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -55.05 -52.18 64.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 64.34 110.872 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.462 HG22 HD12 ' A' ' 363' ' ' LEU . 45.5 mt -55.7 -35.38 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 73.32 111.14 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -59.26 -47.27 86.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.877 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -75.52 -30.9 59.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 61.12 110.9 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 7.9 p -78.1 -3.07 40.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.863 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.462 HD12 HG22 ' A' ' 359' ' ' ILE . 51.9 mt -121.45 26.25 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 63.44 110.892 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 171.14 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 73.13 110.874 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 1.072 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.44 -40.81 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 75.13 111.122 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.421 ' N ' HG23 ' A' ' 365' ' ' ILE . 3.6 p30 -92.43 -32.63 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.831 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -109.02 36.27 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 65.54 110.881 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.439 HD13 ' CD1' ' B' ' 406' ' ' PHE . 18.2 tp -53.52 107.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 61.41 110.933 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -125.37 69.21 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.933 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.677 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.7 m -52.23 -29.05 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.14 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -52.02 -41.41 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.881 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -33.78 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 74.44 110.878 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 35.4 t -53.3 -46.16 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 70.04 110.9 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.3 mt -66.08 -48.2 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 55.44 111.143 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.8 -35.23 43.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.873 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.426 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.83 -54.1 7.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.24 111.064 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 84.2 mt -52.75 -38.98 61.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 72.3 110.893 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -36.05 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 44.25 110.902 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.26 -47.78 66.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 34.12 110.891 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.713 HD12 HD13 ' B' ' 419' ' ' LEU . 3.1 tm? -56.16 -35.72 67.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 52.31 110.953 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.544 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -70.34 -36.49 74.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 53.33 111.114 179.795 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 7.1 t -71.64 -36.45 70.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.854 -179.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.443 HD22 HH11 ' A' ' 351' ' ' ARG . 89.9 mt -63.02 145.7 54.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 63.21 110.864 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -97.59 62.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.896 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.95 136.89 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 44.12 111.096 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -106.68 170.72 7.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 72.12 111.176 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.76 -37.29 59.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.904 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -51.95 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.25 110.94 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -40.14 65.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 70.44 110.949 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.5 75.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.051 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . 0.53 ' O ' HG23 ' A' ' 394' ' ' THR . 1.1 mm100 -52.22 -36.7 52.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 75.25 110.924 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -80.04 -36.06 36.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 71.12 110.878 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.504 ' CG ' HD23 ' A' ' 352' ' ' LEU . 80.3 m80 -96.04 35.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 70.14 110.832 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 391' ' ' GLN . 12.6 p -60.59 -34.16 73.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 63.35 111.089 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.17 -45.77 75.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 65.31 110.894 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 58.8 ttp -59.8 -38.96 83.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.877 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.772 ' HA ' HD12 ' A' ' 400' ' ' LEU . 42.6 mt -69.03 -34.78 65.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 64.34 111.108 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 45.8 m -61.97 -40.88 97.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 71.25 111.135 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 84.8 m -64.79 -37.93 89.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 64.32 111.171 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 397' ' ' ILE . 15.5 mt -53.7 -35.23 60.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.917 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -76.58 -28.53 56.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.901 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -75.82 -35.32 60.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 71.01 110.889 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.071 HG22 HD11 ' B' ' 365' ' ' ILE . 36.3 pt -73.11 -2.18 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.118 179.885 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.496 ' NH2' HD11 ' B' ' 440' ' ' LEU . 0.0 OUTLIER -78.25 -34.16 49.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 64.01 110.914 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.43 -20.06 7.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.876 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.594 ' HE1' HG13 ' B' ' 408' ' ' VAL . 0.9 OUTLIER -42.12 117.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.863 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -179.56 136.29 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.926 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.545 HG13 ' HE2' ' B' ' 406' ' ' PHE . 1.4 m -51.63 157.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 43.23 111.102 179.872 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 40.5 t -97.86 155.69 16.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.885 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -51.77 -35.59 44.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.895 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.66 -39.76 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.11 111.134 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.718 HD11 ' HB ' ' B' ' 370' ' ' VAL . 78.8 mt -71.43 -50.34 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.31 111.131 179.895 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 18.3 mtm -60.22 -30.58 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 65.12 110.865 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.38 -53.4 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.896 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -56.95 -39.69 75.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.905 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 90.1 p -55.23 -53.39 56.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.858 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 86.7 m -52.78 -35.7 57.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.09 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -51.43 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.21 110.848 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.737 HD13 HD12 ' B' ' 380' ' ' LEU . 18.7 mt -72.15 -36.02 69.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 71.2 110.897 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -60.12 -44.71 94.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.925 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -72.77 -40.33 66.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.923 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -53.97 -45.66 71.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.906 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.407 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 35.3 m-85 -70.7 -38.56 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 74.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -52.0 -55.38 20.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.898 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -51.93 -35.43 45.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 44.24 110.886 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 27.7 mtm -75.29 -34.45 61.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.21 110.923 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -70.1 -37.09 75.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.905 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 3.0 pp -85.49 -36.27 20.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 74.31 110.974 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . . . . . . . . . 97.3 t 60.01 99.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 70.12 111.143 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 112.63 -156.22 15.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 25.3 112.45 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -49.55 104.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 75.24 110.869 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -141.85 89.65 0.18 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 64.41 112.468 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.8 146.69 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 72.32 110.872 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 3.3 m -56.36 144.24 31.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.02 110.809 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.412 HG22 HG13 ' A' ' 436' ' ' ILE . 2.6 p -125.23 115.84 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 45.03 111.155 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 436' ' ' ILE . 14.8 mt 49.75 48.46 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 70.31 111.156 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.01 -174.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 73.3 111.159 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . 0.597 ' O ' HG13 ' A' ' 439' ' ' VAL . 12.1 tt0 57.55 70.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.924 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 438' ' ' GLN . 0.0 OUTLIER -169.71 159.45 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 34.11 111.139 179.954 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 7.3 mt -150.72 -64.43 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 61.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -150.14 -169.16 3.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 64.43 110.845 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.18 -68.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.11 110.866 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -54.98 17.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 75.3 110.837 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 11.1 mt -65.64 -34.33 77.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 75.3 110.892 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.09 -34.68 31.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 72.32 111.103 179.778 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.16 -53.71 52.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 72.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -76.83 -48.93 17.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 64.54 110.881 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -51.59 -35.75 42.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 53.15 110.876 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -51.96 -36.02 48.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.879 -179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -57.96 -46.47 85.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 75.51 110.84 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.66 -52.5 8.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.936 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.09 -36.12 49.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.906 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.72 -37.25 50.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.2 111.111 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -51.8 -48.27 63.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 74.14 110.86 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 15.2 tttt 57.64 95.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.91 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 13.8 t -88.63 175.58 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 60.34 111.148 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -83.63 -78.4 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 72.51 110.839 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.97 64.17 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 75.11 110.892 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -48.17 -67.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 44.03 110.952 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 101.15 -60.44 0.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 70.4 112.493 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 41.6 tttp 63.84 107.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 74.2 110.923 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.94 -42.12 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 65.12 110.895 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 60.1 -179.5 2.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 54.43 112.512 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -172.11 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.635 2.223 . . . . 72.11 112.336 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 62.67 103.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 63.41 110.885 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -114.57 -69.67 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.883 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 3.4 tttm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 65.2 110.89 179.891 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.885 0.374 . . . . 74.43 110.89 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -179.1 159.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.02 110.921 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -169.63 174.53 5.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 50.42 111.114 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -136.14 -71.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.44 111.113 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.07 -174.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 61.04 110.851 -179.827 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 59.93 -179.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 74.35 110.844 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.62 161.25 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 65.14 111.132 -179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 66.4 m -71.41 -59.66 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 65.44 110.849 -179.84 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.2 tpt -53.21 -37.92 62.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 74.02 110.913 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.02 -35.73 66.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.832 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 13.0 t -68.09 -38.31 82.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 65.45 110.839 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -75.86 -35.04 60.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 64.45 110.848 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.748 ' HA ' HD12 ' B' ' 355' ' ' ILE . 11.9 mt -71.47 -48.15 51.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 63.21 110.904 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -56.52 -30.67 63.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 64.41 110.915 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.37 -41.28 61.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.42 110.881 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' B' ' 352' ' ' LEU . 14.8 mt -59.5 -41.28 84.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.43 111.129 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -68.93 -44.06 73.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.875 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.51 93.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 75.04 111.089 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -55.19 -50.31 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.898 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.471 HG22 HD12 ' B' ' 363' ' ' LEU . 47.0 mt -57.44 -35.22 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 62.43 111.083 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -59.13 -47.33 85.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 74.3 110.873 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -75.67 -30.8 59.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.876 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 7.1 p -78.38 -2.56 38.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.895 -179.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.471 HD12 HG22 ' B' ' 359' ' ' ILE . 47.9 mt -121.45 25.77 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 45.15 110.967 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 170.29 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.914 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.071 HD11 HG22 ' A' ' 403' ' ' ILE . 6.1 tp -84.63 -39.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.115 179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.404 ' N ' HG23 ' B' ' 365' ' ' ILE . 3.6 p30 -92.74 -32.14 14.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 64.14 110.875 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -110.9 36.67 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.878 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 406' ' ' PHE . 18.3 tp -53.35 107.54 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 73.24 110.93 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -124.66 68.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.12 110.902 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.718 ' HB ' HD11 ' A' ' 412' ' ' ILE . 6.6 m -51.82 -29.51 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 64.02 111.139 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -51.81 -41.56 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.44 110.857 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -33.79 60.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.895 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.8 t -53.16 -46.78 69.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.889 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.57 -47.41 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.33 111.145 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -52.13 -35.63 48.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 75.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.611 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.66 -53.95 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.15 111.102 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 84.5 mt -52.24 -36.06 51.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.892 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -35.86 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 54.03 110.847 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.98 -50.22 62.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 62.51 110.888 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.737 HD12 HD13 ' A' ' 419' ' ' LEU . 3.1 tm? -54.8 -37.76 66.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 72.31 110.887 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . 0.535 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -68.37 -37.96 80.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 71.22 111.113 179.797 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 7.1 t -71.4 -36.66 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 63.33 110.861 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.14 145.35 55.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 71.02 110.937 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -97.16 61.93 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 65.43 110.914 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.8 p -70.67 136.72 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 70.11 111.088 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.3 t -106.82 170.76 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 45.24 111.136 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -37.75 56.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.857 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.29 -52.04 64.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.941 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -40.39 66.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.12 110.958 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.73 74.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 62.03 111.108 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . 0.573 ' O ' HG23 ' B' ' 394' ' ' THR . 1.1 mm100 -52.02 -36.47 50.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.928 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -79.91 -36.26 36.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 54.25 110.917 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -95.53 35.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.861 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.573 HG23 ' O ' ' B' ' 391' ' ' GLN . 12.7 p -59.87 -34.43 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 54.13 111.1 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -47.17 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 74.34 110.911 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 58.9 ttp -58.25 -40.39 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.866 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.763 ' HA ' HD12 ' B' ' 400' ' ' LEU . 44.6 mt -67.49 -35.04 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 71.44 111.14 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 45.0 m -61.93 -41.11 97.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 55.43 111.119 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.5 m -64.44 -38.44 91.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 71.54 111.172 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' B' ' 397' ' ' ILE . 16.5 mt -53.19 -35.04 59.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.926 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -76.75 -28.88 55.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 60.31 110.871 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -76.02 -34.87 59.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.14 110.913 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 1.072 HG22 HD11 ' A' ' 365' ' ' ILE . 41.0 pt -73.54 -1.91 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 52.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -33.14 37.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.837 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.5 -20.39 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 65.42 110.883 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.545 ' HE2' HG13 ' A' ' 408' ' ' VAL . 0.6 OUTLIER -42.83 115.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 70.24 110.895 -179.902 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -177.4 132.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 62.2 110.881 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.594 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.4 m -53.58 144.77 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.133 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 39.9 t -84.29 158.68 21.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.859 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -54.54 -37.72 65.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.33 110.903 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 5.6 p -56.38 -40.7 68.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 73.1 111.173 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.677 HD11 ' HB ' ' A' ' 370' ' ' VAL . 78.3 mt -71.14 -49.45 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 71.34 111.172 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.3 mtm -60.76 -31.19 70.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 75.13 110.897 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.93 -52.62 10.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 74.42 110.901 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -58.18 -39.5 79.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.32 110.909 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 91.7 p -55.18 -53.05 60.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 61.13 110.859 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 89.3 m -52.68 -36.56 57.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 52.43 111.153 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -51.41 70.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.95 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.713 HD13 HD12 ' A' ' 380' ' ' LEU . 18.0 mt -71.78 -36.62 70.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 43.52 110.958 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.12 -44.71 94.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.877 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -72.57 -40.67 66.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 72.53 110.849 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -53.85 -45.88 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 71.45 110.945 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.435 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 32.7 m-85 -70.27 -38.32 75.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 54.34 110.87 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -52.29 -54.78 27.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 71.03 110.859 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . 0.401 ' HA ' HD21 ' B' ' 428' ' ' LEU . 8.3 m-20 -52.31 -35.31 50.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.859 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 27.9 mtm -75.26 -34.45 61.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.876 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . 0.473 ' HZ ' HG22 ' A' ' 394' ' ' THR . 9.9 m-85 -70.06 -37.08 75.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 71.21 110.858 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' B' ' 425' ' ' ASN . 2.8 pp -85.55 -35.97 20.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 72.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . . . . . . . . . 96.8 t 59.86 98.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.114 179.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 75.28 142.73 0.97 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 42.01 112.471 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 49.79 81.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 62.22 110.849 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -147.67 90.96 0.15 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.725 . . . . 64.44 112.498 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.93 131.99 7.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 74.12 110.864 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 3.3 m -62.27 130.54 45.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 63.33 110.849 -179.763 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 16.1 m -117.17 135.21 58.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 65.41 111.097 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 9.8 mt 50.89 46.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 70.25 111.132 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.21 -171.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.13 111.106 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 64.5 156.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 54.42 110.945 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 7.2 t 67.74 151.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.112 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . 0.496 HD11 ' NH2' ' A' ' 404' ' ' ARG . 7.7 mt -135.15 -41.21 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.916 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -140.91 -171.23 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 71.33 110.897 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.2 -68.18 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.865 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -55.13 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 55.1 110.859 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.5 -34.22 77.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 73.22 110.92 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -50.91 -34.48 28.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 72.51 111.12 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.13 -54.1 47.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.9 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -76.7 -48.85 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 75.01 110.9 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -51.66 -35.37 42.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.896 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -51.89 -36.1 47.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.21 110.9 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -57.58 -47.2 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 65.3 110.874 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.63 -52.14 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.917 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -52.14 -37.34 54.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 65.55 110.922 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.7 -36.1 45.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 64.13 111.121 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -53.25 -45.86 68.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.886 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 15.0 tttt 51.76 79.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 72.25 110.888 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 14.5 t -93.87 148.3 22.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 63.12 111.177 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -166.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.2 110.886 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -175.7 -36.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.855 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 66.14 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 60.35 110.93 -179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 91.29 -58.62 3.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 71.53 112.451 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 41.4 tttp 62.64 103.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 72.41 110.908 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.41 -40.81 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.909 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 57.82 -178.76 1.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 65.23 112.517 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -172.6 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.664 2.243 . . . . 74.05 112.33 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 62.93 103.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 71.54 110.894 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -114.7 -69.47 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 72.33 110.907 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 3.3 tttm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 61.23 110.917 179.851 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.867 0.365 . . . . 74.34 110.817 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -50.05 104.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 73.04 110.863 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -119.9 143.47 47.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 50.24 111.114 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -170.39 142.44 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 74.12 111.133 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.81 139.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 73.0 110.908 -179.782 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -167.97 179.78 4.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.908 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.55 165.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 73.11 111.078 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 34.8 m -68.7 -51.07 45.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 60.3 110.821 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.2 tpt -63.32 -36.27 83.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 71.15 110.916 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -73.51 -37.1 65.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.894 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 19.2 m -63.22 -39.44 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 64.41 110.846 -179.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.64 HH11 HD22 ' A' ' 383' ' ' LEU . 8.3 ptp180 -76.14 -32.92 59.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.861 -179.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.34 -32.95 61.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.886 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -32.86 70.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.934 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -78.75 -37.84 40.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.847 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 36.1 mt -61.03 -37.56 77.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.101 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.43 -49.93 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.873 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.52 91.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 63.02 111.105 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -54.89 -37.96 66.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 64.34 110.866 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 30.5 mt -74.12 -30.28 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.32 111.132 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -52.57 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.873 179.886 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -72.81 -27.13 61.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 61.12 110.884 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.5 p -77.2 -13.19 59.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 73.51 110.873 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.459 HD21 ' SG ' ' A' ' 373' ' ' CYS . 54.2 mt -113.75 25.94 10.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 63.44 110.926 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 169.5 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.924 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 1.038 HD11 HG22 ' B' ' 403' ' ' ILE . 6.1 tp -84.71 -41.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 75.13 111.118 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.449 ' N ' HG23 ' A' ' 365' ' ' ILE . 38.4 t0 -91.18 -32.23 15.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.869 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -109.7 36.18 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 65.54 110.896 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.581 HD13 ' CD2' ' B' ' 406' ' ' PHE . 14.7 tp -55.38 107.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 61.41 110.924 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -125.23 71.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.876 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.65 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.7 m -51.05 -30.38 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 73.32 111.186 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -52.06 -40.29 60.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 71.21 110.887 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -33.52 59.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.854 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.459 ' SG ' HD21 ' A' ' 363' ' ' LEU . 11.0 t -53.26 -55.08 27.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 70.04 110.883 -179.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -59.11 -37.01 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 55.44 111.144 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.23 -36.76 78.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.904 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -76.83 -53.64 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.24 111.126 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.411 HD22 HD12 ' B' ' 419' ' ' LEU . 69.4 mt -52.15 -35.79 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.3 110.908 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.1 -48.86 78.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 44.25 110.919 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -57.55 -49.93 74.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 34.12 110.922 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.679 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.2 tm? -52.59 -36.87 56.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 52.31 110.924 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.459 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -70.38 -35.67 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 53.33 111.083 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.77 -35.63 62.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.873 -179.779 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.64 HD22 HH11 ' A' ' 351' ' ' ARG . 88.1 mt -68.78 119.32 12.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 63.21 110.882 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -79.92 71.51 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.02 110.868 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 6.4 p -79.89 144.08 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 44.12 111.146 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.3 t -96.44 174.9 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.12 111.136 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -38.09 81.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.889 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -52.19 -59.35 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 70.25 110.882 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -64.44 -35.43 80.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 70.44 110.864 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.86 92.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 73.34 111.119 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -51.61 -36.08 44.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.886 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -74.05 -33.78 63.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 71.12 110.915 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -95.13 35.59 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 70.14 110.834 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -34.92 63.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.35 111.154 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.06 -44.88 91.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 65.31 110.885 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 49.2 ttp -55.15 -53.23 58.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.92 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.1 mt -56.94 -39.87 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 64.34 111.129 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 85.9 m -54.04 -39.51 66.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.25 111.158 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 89.1 m -68.55 -40.61 80.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 64.32 111.083 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 397' ' ' ILE . 59.0 mt -51.83 -38.77 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 73.43 110.924 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -28.92 57.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 75.05 110.908 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -74.94 -35.92 62.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 71.01 110.892 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.038 HG22 HD11 ' B' ' 365' ' ' ILE . 36.3 pt -73.11 -1.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.44 111.132 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -78.52 -34.52 47.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.887 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.84 -20.17 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.816 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.572 ' HE1' HG13 ' B' ' 408' ' ' VAL . 0.6 OUTLIER -41.29 115.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 75.04 110.882 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -176.98 138.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.925 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.588 HG13 ' HE1' ' B' ' 406' ' ' PHE . 2.5 m -57.54 143.89 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 43.23 111.135 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . 0.434 ' H ' HD12 ' A' ' 412' ' ' ILE . 29.4 t -82.79 157.1 23.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.857 -179.833 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -51.78 -40.27 60.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.974 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.2 -41.06 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.11 111.082 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.676 HD11 ' HB ' ' B' ' 370' ' ' VAL . 80.5 mt -68.86 -45.4 80.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 74.31 111.099 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 22.8 mtm -64.99 -33.84 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 65.12 110.851 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.22 -53.53 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.882 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -56.81 -40.82 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 75.21 110.864 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . 0.412 ' HB2' HD11 ' B' ' 403' ' ' ILE . 59.3 p -55.64 -49.68 72.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 71.33 110.839 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 31.4 m -53.56 -46.52 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 73.02 111.137 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 24.3 ttp -52.55 -52.07 56.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.906 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' B' ' 381' ' ' ALA . 68.2 mt -66.58 -42.26 87.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.936 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -55.15 -53.82 51.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.95 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -61.76 -36.35 80.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.86 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -54.52 -53.88 48.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.894 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.535 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 23.2 m-85 -75.62 -36.21 60.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -58.75 -43.56 90.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 63.42 110.906 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -61.91 -35.26 77.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 44.24 110.832 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 48.7 mtm -76.32 -35.32 58.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.897 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.429 ' CE2' HD13 ' B' ' 397' ' ' ILE . 18.7 m-85 -72.77 -36.52 67.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 65.35 110.88 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.605 HD13 HD22 ' A' ' 440' ' ' LEU . 4.4 pp -84.91 -35.09 22.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 74.31 110.901 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.514 ' N ' HD12 ' A' ' 428' ' ' LEU . 92.6 t 56.78 91.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 70.12 111.138 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -134.59 150.12 20.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 25.3 112.514 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.23 111.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 75.24 110.85 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 144.83 -164.29 27.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 64.41 112.484 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.42 174.42 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 72.32 110.828 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 1.4 t -63.48 103.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.862 -179.755 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 22.3 m -143.51 179.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 45.03 111.12 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.57 135.89 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 70.31 111.084 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.44 178.98 9.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.3 111.14 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.51 137.83 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.85 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.489 ' H ' ' NH1' ' A' ' 448' ' ' ARG . 18.4 t 64.74 110.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 34.11 111.135 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.605 HD22 HD13 ' A' ' 428' ' ' LEU . 0.7 OUTLIER -178.39 -45.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 61.0 110.899 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.51 170.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 64.43 110.921 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.98 -67.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 73.11 110.885 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -52.73 58.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.874 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -35.46 80.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 75.3 110.955 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.52 -35.23 39.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 72.32 111.15 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.16 -60.71 3.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 72.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -35.45 75.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 64.54 110.892 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.489 ' NH1' ' H ' ' A' ' 439' ' ' VAL . 2.7 ttm180 -51.71 -35.99 45.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 53.15 110.915 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -46.95 64.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.939 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . 0.407 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 13.6 t-80 -82.48 -39.39 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.51 110.902 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.19 -56.12 23.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.885 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -36.25 49.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.905 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 450' ' ' HIS . . . -57.8 -36.26 71.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 74.2 111.113 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.96 20.66 18.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.14 110.889 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 456' ' ' THR . 0.6 OUTLIER -52.15 -73.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.893 179.915 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 455' ' ' LYS . 0.0 OUTLIER -168.68 -73.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 60.34 111.14 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -122.11 -177.14 3.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 72.51 110.893 179.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.24 -172.0 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 75.11 110.845 179.853 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -54.23 119.04 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 44.03 110.907 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -52.41 146.79 15.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.675 -0.774 . . . . 70.4 112.512 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.89 178.21 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 74.2 110.846 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.48 124.76 21.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 65.12 110.896 179.832 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -176.47 74.23 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.736 . . . . 54.43 112.51 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -176.14 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.625 2.216 . . . . 72.11 112.353 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 28.5 m120 56.13 52.0 11.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 63.41 110.919 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -37.01 52.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.893 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 65.2 110.904 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.923 0.392 . . . . 74.43 110.878 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 49.94 86.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 74.02 110.888 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -124.35 141.92 51.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 50.42 111.05 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -168.16 143.01 3.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.074 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.08 138.35 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 61.04 110.881 -179.75 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -167.59 179.66 4.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 74.35 110.881 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.88 165.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 65.14 111.199 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 35.5 m -69.08 -51.07 42.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 65.44 110.863 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.0 tpt -62.21 -36.68 82.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 74.02 110.896 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.36 -35.29 65.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.86 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 20.4 m -64.85 -40.1 94.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 65.45 110.871 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . 0.408 HH11 HD22 ' B' ' 383' ' ' LEU . 8.6 ptp180 -75.2 -35.48 61.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 64.45 110.877 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.562 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.4 mp -71.49 -47.92 52.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 63.21 110.941 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -29.96 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 64.41 110.891 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -76.78 -43.07 38.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.855 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.6 mt -59.47 -34.77 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.43 111.129 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -71.83 -51.14 23.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.867 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -63.08 -41.26 99.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.04 111.12 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.59 -36.23 64.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.879 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 34.7 mt -74.37 -34.57 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 62.43 111.104 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -56.81 -51.39 69.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.3 110.887 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.12 -31.34 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.894 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 8.4 p -75.59 -10.92 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 71.21 110.888 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 48.6 mt -114.78 26.44 10.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 45.15 110.95 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 170.07 11.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.932 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.038 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.54 -42.38 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.33 111.127 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.446 ' N ' HG23 ' B' ' 365' ' ' ILE . 38.4 t0 -90.87 -32.22 16.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 64.14 110.894 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -109.41 36.23 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 65.1 110.877 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 406' ' ' PHE . 14.8 tp -55.67 107.65 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 73.24 110.884 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -125.03 71.29 1.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.878 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.676 ' HB ' HD11 ' A' ' 412' ' ' ILE . 6.6 m -51.29 -30.39 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 64.02 111.074 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -52.03 -40.07 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.851 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -33.78 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 64.21 110.916 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 11.1 t -53.33 -55.66 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 61.02 110.842 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.38 -35.9 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 64.33 111.132 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.84 -36.84 82.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.833 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.502 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.61 -52.46 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 73.15 111.091 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 69.5 mt -52.29 -35.73 51.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.3 110.926 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -63.43 -48.33 78.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 54.03 110.934 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.99 -50.02 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 62.51 110.856 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.626 HD13 ' O ' ' B' ' 380' ' ' LEU . 1.3 tm? -53.28 -39.47 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 72.31 110.903 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . 0.459 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -67.54 -33.97 76.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.117 179.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -35.91 58.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 63.33 110.858 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.408 HD22 HH11 ' B' ' 351' ' ' ARG . 88.3 mt -68.63 120.09 14.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 71.02 110.888 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -80.96 70.21 7.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 65.43 110.961 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -79.39 143.15 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 70.11 111.157 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.4 t -95.29 174.59 6.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 45.24 111.109 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -38.31 84.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.883 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -51.89 -58.29 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.862 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.36 -35.85 82.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.898 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.03 88.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 62.03 111.109 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -51.86 -35.94 46.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.872 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -72.93 -34.93 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 54.25 110.899 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -95.14 35.58 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.859 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.416 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.5 OUTLIER -53.8 -35.8 61.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 54.13 111.185 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.68 -43.53 85.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.912 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 42.1 ttp -55.65 -54.6 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.878 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.714 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.9 mt -54.09 -41.65 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 71.44 111.104 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 94.0 m -54.14 -38.59 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 55.43 111.144 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 87.8 m -69.07 -41.93 76.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.54 111.151 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' B' ' 397' ' ' ILE . 34.8 mt -53.02 -37.62 61.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.92 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -28.76 56.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 60.31 110.912 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -75.53 -35.46 60.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 72.14 110.907 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 1.038 HG22 HD11 ' A' ' 365' ' ' ILE . 36.6 pt -73.15 -1.61 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 52.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -78.46 -34.44 47.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.35 110.884 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.86 -20.09 7.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 65.42 110.846 -179.901 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.588 ' HE1' HG13 ' A' ' 408' ' ' VAL . 0.8 OUTLIER -40.98 115.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 70.24 110.862 -179.897 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -176.65 139.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 62.2 110.924 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.572 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.3 m -58.09 145.76 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 71.22 111.148 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.9 t -85.89 156.27 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 64.22 110.898 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -51.8 -36.06 46.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 73.33 110.903 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.59 -40.6 82.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 73.1 111.115 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.65 HD11 ' HB ' ' A' ' 370' ' ' VAL . 75.9 mt -70.94 -48.39 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 71.34 111.119 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 23.7 mtm -62.36 -31.59 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.886 179.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -73.38 -53.22 11.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.863 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -57.99 -40.0 79.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.929 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 81.3 p -55.21 -50.48 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 61.13 110.825 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 30.8 m -53.02 -47.03 68.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 52.43 111.124 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 24.7 ttp -51.87 -51.64 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.816 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 381' ' ' ALA . 80.1 mt -66.75 -44.05 82.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 43.52 110.911 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -52.79 -56.7 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.92 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -58.1 -35.48 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.893 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -55.16 -53.15 59.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 71.45 110.858 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.604 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 89.0 m-85 -75.04 -38.57 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 54.34 110.908 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -57.6 -44.54 85.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 71.03 110.912 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -60.82 -35.96 77.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 62.42 110.898 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 48.5 mtm -76.88 -35.13 57.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.896 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . 0.459 ' CE2' HD13 ' A' ' 397' ' ' ILE . 17.4 m-85 -73.05 -36.23 66.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 71.21 110.885 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.639 HD13 HD22 ' B' ' 440' ' ' LEU . 4.3 pp -85.08 -35.32 21.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 72.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.481 ' N ' HD12 ' B' ' 428' ' ' LEU . 95.4 t 56.72 91.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.105 179.818 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . -134.64 150.22 20.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.784 -0.722 . . . . 42.01 112.485 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.19 111.09 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 62.22 110.872 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 144.75 -164.41 27.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 64.44 112.457 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.23 174.59 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 74.12 110.877 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 1.4 t -63.55 103.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 63.33 110.889 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 22.4 m -143.51 179.76 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 65.41 111.133 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.5 135.86 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 70.25 111.125 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.26 178.98 9.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.13 111.136 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.66 137.79 32.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 54.42 110.874 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . 0.484 ' H ' ' NH1' ' B' ' 448' ' ' ARG . 18.6 t 64.65 110.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.11 111.103 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . 0.639 HD22 HD13 ' B' ' 428' ' ' LEU . 0.7 OUTLIER -178.4 -45.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.896 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.39 170.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 71.33 110.898 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -68.04 0.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.934 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -52.9 58.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 55.1 110.846 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -35.51 80.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.22 110.932 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.46 -35.37 39.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 72.51 111.113 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.09 -60.53 3.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.9 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -35.49 75.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.852 -179.861 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . 0.484 ' NH1' ' H ' ' B' ' 439' ' ' VAL . 2.8 ttm180 -51.81 -36.01 46.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 73.21 110.874 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -46.96 64.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 73.21 110.913 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . 0.417 ' O ' ' HB3' ' B' ' 453' ' ' ALA . 13.7 t-80 -82.65 -39.01 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 65.3 110.848 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -55.56 -56.03 25.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 75.43 110.878 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -36.06 49.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 65.55 110.922 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' B' ' 450' ' ' HIS . . . -57.93 -36.23 72.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 64.13 111.074 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.98 20.58 18.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 73.42 110.881 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . 0.421 ' O ' HG23 ' B' ' 456' ' ' THR . 0.6 OUTLIER -52.17 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 72.25 110.901 179.952 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . 0.421 HG23 ' O ' ' B' ' 455' ' ' LYS . 0.0 OUTLIER -168.64 -73.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 63.12 111.104 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -122.12 -177.11 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 73.2 110.912 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.15 -171.96 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 72.44 110.854 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -54.34 118.79 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 60.35 110.925 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -52.29 146.61 14.98 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 71.53 112.507 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.76 178.34 1.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 72.41 110.9 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 124.6 21.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.885 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -176.36 74.21 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 65.23 112.445 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -176.14 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 74.05 112.359 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 28.5 m120 56.14 51.84 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.54 110.895 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -36.97 53.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.33 110.908 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 61.23 110.906 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.875 0.369 . . . . 74.34 110.894 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -159.77 -173.01 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 73.04 110.86 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -144.79 -175.06 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 50.24 111.124 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -143.39 126.58 16.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 74.12 111.09 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.46 140.64 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 73.0 110.831 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -147.71 -73.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 71.32 110.865 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.73 136.35 56.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 73.11 111.103 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -52.85 25.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 60.3 110.845 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -36.95 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 71.15 110.83 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.49 -38.27 65.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 75.24 110.842 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.3 m -60.78 -42.09 96.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.88 -179.747 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -74.88 -32.92 61.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.887 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 355' ' ' ILE . 2.5 mp -73.32 -32.31 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.88 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -69.5 -35.4 75.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.922 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -77.91 -37.38 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.881 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 352' ' ' LEU . 27.7 mt -57.48 -41.08 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 73.14 111.147 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -72.44 -49.89 30.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.865 179.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -57.73 -44.15 85.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 63.02 111.064 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -54.72 -39.38 68.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 64.34 110.86 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.473 HG23 ' SG ' ' A' ' 373' ' ' CYS . 37.1 mt -69.42 -33.06 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 73.32 111.086 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -62.9 -52.31 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.35 110.876 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -68.35 -28.5 67.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 61.12 110.942 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 24.3 p -77.43 -29.17 52.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 73.51 110.871 -179.856 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 40.8 mt -94.57 26.78 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 63.44 110.881 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 170.21 9.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.13 110.894 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 0.928 HD11 HG22 ' B' ' 403' ' ' ILE . 5.3 tp -84.81 -40.33 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 75.13 111.142 179.811 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.406 ' N ' HG23 ' A' ' 365' ' ' ILE . 3.6 p30 -89.82 -33.92 16.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 72.25 110.891 179.835 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -106.19 36.34 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 65.54 110.908 -179.892 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.486 HD13 ' CD2' ' B' ' 406' ' ' PHE . 15.6 tp -56.18 107.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 61.41 110.867 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -134.48 77.85 1.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.15 110.898 179.82 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.633 ' HB ' HD11 ' B' ' 412' ' ' ILE . 13.9 m -51.35 -29.32 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.32 111.132 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -51.87 -38.64 56.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.916 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.06 -35.2 59.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.859 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.473 ' SG ' HG23 ' A' ' 359' ' ' ILE . 5.5 t -53.74 -59.53 4.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 70.04 110.924 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 370' ' ' VAL . 3.1 mt -53.5 -44.3 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 55.44 111.127 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.75 -37.24 50.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.888 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -77.19 -54.2 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.24 111.078 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.535 HD22 HD12 ' B' ' 419' ' ' LEU . 88.4 mt -52.44 -37.15 56.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.895 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -44.58 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 44.25 110.84 179.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.67 -44.13 94.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 34.12 110.898 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.684 ' O ' HD13 ' A' ' 380' ' ' LEU . 2.6 tm? -60.82 -35.26 76.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 52.31 110.941 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.458 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -69.84 -37.93 76.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 53.33 111.107 179.776 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 3.0 t -67.9 -34.91 77.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.84 -179.757 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.25 150.12 49.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 63.21 110.921 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -109.75 54.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.966 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 4.6 p -66.83 140.89 18.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 44.12 111.112 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . 0.415 HG23 ' HB2' ' A' ' 388' ' ' GLN . 14.3 t -102.98 171.3 7.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 72.12 111.142 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 4.1 ttt -55.03 -35.49 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.887 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . 0.415 ' HB2' HG23 ' A' ' 386' ' ' THR . 1.4 mt-30 -53.69 -56.77 14.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 70.25 110.908 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -74.06 -35.97 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 70.44 110.923 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.21 88.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.112 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . 0.556 ' O ' HG23 ' A' ' 394' ' ' THR . 3.1 mt-30 -51.51 -42.65 61.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.887 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -66.3 -34.51 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 71.12 110.932 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -95.11 35.72 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 70.14 110.87 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.629 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.7 OUTLIER -52.19 -35.14 48.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 63.35 111.158 -179.926 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -46.52 88.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 65.31 110.908 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -55.2 -37.75 67.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.869 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.816 ' HA ' HD12 ' A' ' 400' ' ' LEU . 4.2 mt -70.12 -42.27 79.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 64.34 111.111 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 87.4 m -55.92 -46.6 78.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 71.25 111.119 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 25.9 m -57.67 -43.7 85.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 64.32 111.136 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 397' ' ' ILE . 19.8 mt -52.13 -37.07 53.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.896 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -28.79 57.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.908 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -75.5 -35.1 60.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 71.01 110.903 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 0.916 HG22 HD11 ' B' ' 365' ' ' ILE . 36.1 pt -73.76 -1.36 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 75.44 111.12 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -34.74 41.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 64.01 110.911 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.06 -14.99 8.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.88 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.513 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -43.39 121.38 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.869 -179.927 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -177.52 142.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.876 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 9.0 p -70.55 135.8 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 43.23 111.157 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -72.8 173.7 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.846 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -73.15 -32.99 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 74.23 110.951 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.93 -42.56 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 73.11 111.13 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.663 HD11 ' HB ' ' B' ' 370' ' ' VAL . 22.6 mt -74.0 -49.95 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.11 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 31.2 mtm -55.25 -33.99 63.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 65.12 110.888 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.74 -52.85 13.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.88 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -59.44 -40.41 86.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.886 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 85.2 p -54.97 -47.39 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.826 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 58.3 m -57.22 -45.66 83.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 73.02 111.189 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 30.1 ttp -53.54 -44.7 69.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 71.21 110.907 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.685 HD13 HD12 ' B' ' 380' ' ' LEU . 50.3 mt -73.53 -43.37 60.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 71.2 110.904 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.416 ' OH ' HD13 ' A' ' 444' ' ' LEU . 45.3 t80 -55.07 -55.12 34.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.953 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -58.83 -35.85 73.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 73.14 110.879 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -55.22 -52.04 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.909 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -74.28 -36.74 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . 0.468 ' HG2' HD23 ' A' ' 428' ' ' LEU . 37.4 tttm -56.14 -54.16 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 63.42 110.897 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -53.5 -34.52 58.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 44.24 110.873 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . 0.54 ' O ' HG23 ' A' ' 429' ' ' VAL . 33.8 mtm -78.27 -29.46 47.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.896 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -77.28 -35.85 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 65.35 110.846 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.468 HD23 ' HG2' ' A' ' 424' ' ' LYS . 3.8 pp -87.95 -41.97 12.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.94 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 426' ' ' MET . 73.4 t 51.62 89.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 70.12 111.101 179.832 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . -168.56 -165.48 26.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 25.3 112.45 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -146.12 -178.99 6.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.936 0.398 . . . . 75.24 110.883 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 90.6 -73.45 1.83 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.791 -0.718 . . . . 64.41 112.477 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 38.3 t0 61.88 63.29 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.332 . . . . 72.32 110.868 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 4.2 p -134.5 35.84 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 75.02 110.828 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 17.1 t 65.2 151.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 45.03 111.104 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -150.22 -179.46 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 70.31 111.113 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.96 34.06 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 73.3 111.13 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -179.82 133.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 73.44 110.915 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 440' ' ' LEU . 5.4 t 63.08 158.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 34.11 111.105 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.41 ' N ' HG12 ' A' ' 439' ' ' VAL . 0.2 OUTLIER 67.69 162.12 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 61.0 110.95 179.936 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 61.39 74.24 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 64.43 110.926 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -115.98 -43.54 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.918 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 70.9 m -65.81 -51.41 59.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 75.3 110.889 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . 0.439 HD11 ' HG3' ' A' ' 424' ' ' LYS . 81.6 mt -70.38 -36.23 73.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 75.3 110.923 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.8 -36.19 46.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.147 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.96 -36.03 74.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -76.14 -59.73 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 64.54 110.896 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -51.92 -35.95 47.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 53.15 110.865 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 453' ' ' ALA . 0.7 OUTLIER -52.04 -47.94 64.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.904 -179.9 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -82.46 -43.71 16.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 75.51 110.89 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -52.36 -59.17 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 75.33 110.892 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.67 -36.17 82.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 75.21 110.857 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 449' ' ' GLN . . . -57.6 -41.05 80.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 74.2 111.098 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -72.01 -45.72 59.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.14 110.881 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -133.17 132.68 41.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.858 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 22.7 m -133.34 71.81 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 60.34 111.128 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -85.03 -172.47 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 72.51 110.885 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.63 172.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.893 179.856 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -58.45 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 44.03 110.92 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 109.02 -34.09 5.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 70.4 112.516 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -58.91 163.37 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 74.2 110.877 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -120.15 -39.11 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 65.12 110.909 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -113.51 74.79 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 54.43 112.453 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -178.9 2.57 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.635 2.223 . . . . 72.11 112.362 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.24 169.8 16.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 63.41 110.888 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -143.9 106.94 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.923 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 65.2 110.865 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.932 0.396 . . . . 74.43 110.826 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -159.73 -172.94 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 74.02 110.885 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -145.0 -174.91 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 50.42 111.081 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -143.58 126.85 16.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 75.44 111.09 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.51 141.11 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 61.04 110.872 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -147.9 -73.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 74.35 110.895 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.3 138.66 54.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 65.14 111.143 -179.899 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.26 -54.39 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 65.44 110.894 -179.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . 0.414 ' O ' HD12 ' B' ' 352' ' ' LEU . 0.4 OUTLIER -55.49 -37.51 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 74.02 110.896 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.03 -36.37 66.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.903 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.2 m -64.23 -40.91 97.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 65.45 110.83 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . 0.401 ' HE ' HD21 ' B' ' 383' ' ' LEU . 6.5 ptm85 -75.9 -35.34 59.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 64.45 110.873 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.727 ' HA ' HD12 ' B' ' 355' ' ' ILE . 7.8 mt -70.4 -47.81 59.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 63.21 110.945 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -55.84 -31.1 62.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 64.41 110.902 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -76.84 -42.99 38.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.42 110.846 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.2 mt -55.89 -37.09 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.43 111.074 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -71.78 -51.07 24.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.872 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.48 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.117 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -55.08 -40.41 70.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.879 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.446 HG23 ' SG ' ' B' ' 373' ' ' CYS . 34.7 mt -68.45 -33.26 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 62.43 111.148 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -62.23 -52.16 64.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.913 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -68.89 -28.04 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 75.2 110.934 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 22.9 p -77.44 -29.34 52.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.836 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 45.2 mt -94.78 26.66 3.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 45.15 110.932 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 170.39 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.41 110.942 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 0.916 HD11 HG22 ' A' ' 403' ' ' ILE . 5.4 tp -84.83 -40.16 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 74.33 111.162 179.866 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.405 ' N ' HG23 ' B' ' 365' ' ' ILE . 3.6 p30 -90.14 -33.8 16.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 64.14 110.869 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -106.24 36.53 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 65.1 110.897 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 406' ' ' PHE . 15.4 tp -56.36 107.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.895 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -134.35 77.82 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.888 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.663 ' HB ' HD11 ' A' ' 412' ' ' ILE . 13.8 m -51.52 -29.21 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 64.02 111.117 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -51.91 -38.64 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.891 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.06 -35.42 59.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 64.21 110.881 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' B' ' 359' ' ' ILE . 5.5 t -53.65 -59.37 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 61.02 110.88 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.415 HD12 ' O ' ' B' ' 370' ' ' VAL . 3.1 mt -53.42 -44.45 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 64.33 111.137 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.67 -37.19 49.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -77.01 -54.0 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 73.15 111.13 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . 0.526 HD22 HD12 ' A' ' 419' ' ' LEU . 89.8 mt -52.15 -35.54 48.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 72.3 110.922 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -42.46 99.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 54.03 110.883 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.61 -50.18 70.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 62.51 110.906 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.685 HD12 HD13 ' A' ' 419' ' ' LEU . 3.2 tm? -56.75 -35.26 68.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 72.31 110.952 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . 0.469 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -69.21 -40.78 77.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 71.22 111.106 179.812 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 3.0 t -66.9 -35.24 79.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 63.33 110.808 -179.754 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.401 HD21 ' HE ' ' B' ' 351' ' ' ARG . 90.0 mt -67.06 148.56 51.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 71.02 110.944 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -107.66 55.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 65.43 110.881 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 4.9 p -66.89 140.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 70.11 111.126 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 15.2 t -102.22 171.83 7.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 45.24 111.118 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 4.1 ttt -56.84 -35.57 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.862 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -53.53 -56.53 16.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.934 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -74.0 -35.94 64.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.905 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.22 88.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 62.03 111.111 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . 0.537 ' O ' HG23 ' B' ' 394' ' ' THR . 3.1 mt-30 -51.46 -41.86 61.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 71.43 110.862 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -66.75 -35.34 79.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 54.25 110.864 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -95.36 35.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 74.34 110.833 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.627 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.7 OUTLIER -52.24 -35.17 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 54.13 111.118 -179.917 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -45.64 93.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.869 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -55.63 -38.53 69.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.849 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.771 ' HA ' HD12 ' B' ' 400' ' ' LEU . 4.1 mt -70.03 -39.94 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 71.44 111.111 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 89.0 m -57.22 -45.09 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 55.43 111.123 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 31.9 m -60.6 -41.89 95.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 71.54 111.142 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' B' ' 397' ' ' ILE . 44.5 mt -51.52 -38.65 55.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 75.11 110.934 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.15 -28.89 57.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 60.31 110.91 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -74.54 -35.47 63.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.903 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.928 HG22 HD11 ' A' ' 365' ' ' ILE . 33.9 pt -74.08 -1.27 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 52.0 111.181 179.837 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -34.56 39.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 71.35 110.872 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -14.95 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 65.42 110.844 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.525 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -43.41 121.2 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 70.24 110.884 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -177.4 142.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 62.2 110.907 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.79 135.61 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 71.22 111.057 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -72.57 173.57 8.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 64.22 110.844 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -73.1 -33.02 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.911 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 4.0 p -53.0 -42.46 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.1 111.144 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.633 HD11 ' HB ' ' A' ' 370' ' ' VAL . 21.9 mt -74.04 -50.09 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 71.34 111.136 179.907 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 31.2 mtm -55.2 -33.72 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.911 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.93 -53.05 12.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.893 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -59.42 -39.84 84.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 74.32 110.893 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 82.7 p -54.95 -48.71 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 61.13 110.855 -179.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 57.9 m -56.11 -45.22 79.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 52.43 111.175 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 30.5 ttp -53.67 -44.71 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.822 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.535 HD12 HD22 ' A' ' 377' ' ' LEU . 59.6 mt -73.98 -41.58 61.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 43.52 110.934 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -58.11 -51.68 68.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.967 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -62.79 -39.56 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 72.53 110.92 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -53.29 -51.26 62.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 71.45 110.896 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.536 ' HZ ' HD11 ' A' ' 380' ' ' LEU . 22.3 m-85 -75.38 -35.42 61.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 54.34 110.882 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . 0.495 ' HG3' HD11 ' B' ' 444' ' ' LEU . 38.5 tttm -58.07 -51.42 69.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 71.03 110.876 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -53.19 -33.75 54.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 62.42 110.869 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 38.8 mtm -76.83 -34.68 57.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.876 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -72.23 -36.9 69.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.901 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.526 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.6 pp -85.96 -33.98 20.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 72.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.526 ' N ' HD12 ' B' ' 428' ' ' LEU . 2.5 p 39.85 82.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.109 179.82 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . 0.423 ' N ' HD12 ' B' ' 428' ' ' LEU . . . -160.99 -161.48 11.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 42.01 112.486 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -148.98 -178.16 6.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 62.22 110.912 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 92.66 -75.23 1.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 64.44 112.532 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 37.8 t0 63.35 59.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 74.12 110.83 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 3.9 p -137.13 36.74 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 63.33 110.856 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 17.5 t 65.21 151.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 65.41 111.105 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -152.11 178.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 70.25 111.143 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.56 44.7 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 73.13 111.119 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.56 -172.15 3.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 54.42 110.928 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 33.7 t -49.75 106.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.126 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.5 150.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.874 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' B' ' 445' ' ' ALA . 8.7 m-80 51.75 74.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 71.33 110.893 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -96.22 -36.15 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.899 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 69.7 m -61.25 -52.53 64.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 55.1 110.854 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . 0.495 HD11 ' HG3' ' B' ' 424' ' ' LYS . 82.3 mt -71.54 -36.22 70.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.912 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' B' ' 441' ' ' ASN . . . -51.67 -35.96 44.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 72.51 111.132 179.775 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.17 -36.02 74.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 74.42 110.922 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -76.07 -59.77 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 75.01 110.917 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -51.94 -35.8 47.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.9 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' B' ' 453' ' ' ALA . 0.7 OUTLIER -52.06 -47.84 64.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.88 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -82.58 -43.97 16.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 65.3 110.907 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -52.07 -59.3 4.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.854 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -63.69 -36.13 82.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 65.55 110.872 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' B' ' 449' ' ' GLN . . . -57.47 -41.01 79.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 64.13 111.101 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -72.26 -45.52 59.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 73.42 110.89 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -133.13 132.59 41.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 72.25 110.9 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 22.3 m -133.3 71.79 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 63.12 111.15 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -85.03 -172.45 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.2 110.932 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.81 172.14 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 72.44 110.877 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.36 -58.8 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 60.35 110.915 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 109.38 -33.96 5.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 71.53 112.457 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -58.86 163.2 3.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 72.41 110.933 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -119.87 -39.18 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 72.34 110.901 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -113.62 74.9 0.23 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 65.23 112.493 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -178.64 2.44 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 74.05 112.311 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.33 169.85 16.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 71.54 110.883 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -143.96 106.64 4.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.905 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 61.23 110.95 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 CA--C 1.526 0.038 0 CA-C-O 120.894 0.378 . . . . 74.34 110.838 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -120.56 171.18 8.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 73.04 110.901 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -156.48 61.92 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 50.24 111.114 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -176.16 -173.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 74.12 111.085 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 25.3 p -55.78 103.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.28 -170.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.32 110.893 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 1.2 m -51.82 -35.47 44.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.11 111.109 -179.862 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.02 -36.36 49.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 60.3 110.853 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 4.8 tpt -53.62 -36.87 62.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 71.15 110.847 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.67 -36.32 65.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 75.24 110.859 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -36.71 81.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 64.41 110.825 -179.744 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.471 ' HD2' HD13 ' A' ' 383' ' ' LEU . 11.2 ptp180 -77.4 -33.3 55.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.866 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 352' ' ' LEU . 20.4 mt -74.71 -40.74 61.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.52 110.882 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -63.2 -35.38 80.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.33 110.93 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -77.28 -35.3 55.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.873 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . . . . . . . . . 24.1 mt -61.39 -44.25 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.14 111.128 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -72.22 -45.23 61.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.83 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.76 99.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 63.02 111.094 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -54.99 -42.33 72.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.907 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.512 HG22 HD12 ' A' ' 363' ' ' LEU . 41.2 mt -66.98 -34.31 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.121 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -58.46 -51.88 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 71.35 110.891 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -71.73 -33.58 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 61.12 110.89 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.4 p -74.05 -7.55 52.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.51 110.881 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.512 HD12 HG22 ' A' ' 359' ' ' ILE . 36.4 mt -115.08 26.34 10.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 63.44 110.926 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 170.58 10.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.934 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 0.978 HD11 HG22 ' B' ' 403' ' ' ILE . 5.7 tp -84.33 -37.81 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 75.13 111.117 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -92.99 -31.86 14.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.882 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -108.85 36.36 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 65.54 110.899 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' B' ' 406' ' ' PHE . 19.9 tp -53.34 107.37 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 61.41 110.947 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.41 81.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.868 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.586 ' HB ' HD11 ' B' ' 412' ' ' ILE . 12.5 m -60.69 -27.2 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.16 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -51.85 -39.58 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.888 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -75.89 -35.28 59.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.882 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.416 ' SG ' HG23 ' A' ' 359' ' ' ILE . 38.2 t -54.98 -54.52 41.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 70.04 110.861 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 370' ' ' VAL . 3.3 mt -55.16 -51.34 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 55.44 111.156 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.56 -34.08 35.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.901 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -75.78 -53.92 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 74.24 111.108 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.422 HD11 HG23 ' B' ' 412' ' ' ILE . 11.9 mt -52.09 -42.87 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.919 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.64 -49.08 76.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 44.25 110.886 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -46.53 79.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 34.12 110.88 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.597 HD21 ' HE3' ' A' ' 396' ' ' MET . 1.1 tm? -52.35 -54.43 31.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 52.31 110.953 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.44 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -56.2 -34.6 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 53.33 111.069 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 8.6 t -70.16 -36.36 74.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.33 110.847 -179.781 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.471 HD13 ' HD2' ' A' ' 351' ' ' ARG . 59.5 mt -72.27 149.19 44.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 63.21 110.921 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -104.74 71.15 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.925 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . 0.535 HG13 ' HB3' ' A' ' 389' ' ' GLN . 22.0 t -67.05 127.61 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 44.12 111.135 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . 0.478 HG22 ' CD ' ' A' ' 389' ' ' GLN . 14.6 t -90.18 173.76 7.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.149 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -47.01 80.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.857 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.31 -41.1 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 70.25 110.874 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . 0.535 ' HB3' HG13 ' A' ' 385' ' ' VAL . 0.9 OUTLIER -73.45 -35.58 65.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 70.44 110.936 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -67.53 -47.98 68.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.136 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -36.16 44.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.25 110.883 -179.908 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -83.43 -34.82 25.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 71.12 110.856 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -95.17 35.63 1.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 70.14 110.808 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.688 ' HA ' HD12 ' A' ' 397' ' ' ILE . 1.4 p -63.27 -34.99 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 63.35 111.177 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.02 -44.84 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 65.31 110.896 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.597 ' HE3' HD21 ' A' ' 380' ' ' LEU . 45.2 ttp -55.36 -39.36 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.837 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.779 ' HA ' HD12 ' A' ' 400' ' ' LEU . 4.2 mt -70.04 -43.17 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 64.34 111.113 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 5.9 m -54.2 -34.21 60.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 71.25 111.18 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 94.7 m -74.54 -34.34 62.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 64.32 111.129 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 397' ' ' ILE . 30.2 mt -59.16 -35.85 74.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.928 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -76.11 -28.5 57.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 75.05 110.857 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -75.56 -35.6 60.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 71.01 110.876 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.011 HG22 HD11 ' B' ' 365' ' ' ILE . 35.2 pt -73.54 -1.72 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 75.44 111.11 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.2 -33.73 43.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.862 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -20.03 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 75.44 110.907 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.475 ' CD2' HD13 ' B' ' 368' ' ' LEU . 0.3 OUTLIER -39.95 119.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 75.04 110.886 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -174.33 135.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.903 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . . . . . . . . . 10.2 p -61.58 128.86 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 43.23 111.16 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 25.2 t -64.8 171.65 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.825 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -34.11 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.905 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . 0.415 HG13 HG13 ' A' ' 412' ' ' ILE . 5.1 p -53.31 -41.35 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.121 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.616 HD11 ' HB ' ' B' ' 370' ' ' VAL . 93.1 mt -73.62 -47.73 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.31 111.147 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 14.8 mtm -57.89 -33.95 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 65.12 110.898 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.67 -45.43 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.917 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -65.87 -35.45 80.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.869 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 82.5 p -58.06 -50.27 74.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.875 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 37.1 m -53.67 -44.94 70.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 73.02 111.163 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -50.55 -48.94 57.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 71.21 110.874 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' B' ' 381' ' ' ALA . 54.6 mt -74.38 -35.94 63.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 71.2 110.935 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -59.44 -57.02 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.948 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.17 -34.95 79.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.514 . . . . 73.14 110.889 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -57.44 -52.22 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.899 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.408 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 36.7 m-85 -65.76 -35.94 82.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 74.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -53.96 35.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 63.42 110.889 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -56.05 -33.11 64.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 44.24 110.854 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . 0.454 ' O ' HG23 ' A' ' 429' ' ' VAL . 7.1 mtm -75.91 -26.9 57.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.861 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.705 ' CE2' HD13 ' B' ' 397' ' ' ILE . 11.9 m-85 -79.93 -35.98 36.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 65.35 110.875 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 429' ' ' VAL . 2.5 pp -86.44 -46.88 9.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.896 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.47 ' N ' HD12 ' A' ' 428' ' ' LEU . 84.8 t 51.29 81.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 70.12 111.174 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 93.22 -32.44 5.69 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.741 -0.742 . . . . 25.3 112.486 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 63.99 -171.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.369 . . . . 75.24 110.913 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -52.22 111.57 1.6 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 64.41 112.542 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -109.45 53.8 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 72.32 110.895 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.83 122.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.02 110.871 -179.773 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 437' ' ' THR . 12.4 t 64.97 112.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 45.03 111.138 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 75.3 mt -50.67 118.06 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 70.31 111.127 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 435' ' ' VAL . 24.9 p -123.26 -33.81 3.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 73.3 111.144 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.85 88.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.938 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 19.4 m -148.21 137.52 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 34.11 111.153 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.14 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -148.48 -171.49 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 64.43 110.893 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -116.09 -68.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.905 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 4.2 m -62.29 -52.93 61.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.841 -179.869 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 5.4 mt -64.1 -34.91 79.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.863 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.32 -35.54 38.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 72.32 111.068 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.33 -60.52 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.93 -35.86 77.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 64.54 110.875 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 5.2 tmt_? -57.06 -63.83 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 53.15 110.858 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -38.86 67.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.905 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -53.46 -59.75 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.85 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.69 -35.88 79.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.904 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -35.93 44.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.929 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -53.62 -47.78 69.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 74.2 111.083 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -74.92 -35.64 62.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.883 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 25.8 tttt 71.03 -69.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 73.14 110.921 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 96.0 m 65.39 -78.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 60.34 111.147 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 148.08 14.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 72.51 110.886 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -159.08 38.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 75.11 110.879 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.78 -177.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 44.03 110.919 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -128.99 -96.05 0.81 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 70.4 112.486 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.94 143.04 20.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 74.2 110.917 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -155.98 78.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 65.12 110.892 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -100.51 -166.12 28.52 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.792 -0.718 . . . . 54.43 112.519 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -171.39 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.279 . . . . 72.11 112.336 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -70.27 -74.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.905 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.03 157.65 21.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.883 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 6.0 mttm . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 65.2 110.887 179.884 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.885 0.374 . . . . 74.43 110.865 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -120.55 171.15 8.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 74.02 110.889 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -156.51 61.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 50.42 111.087 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -176.09 -173.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.078 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 24.9 p -55.68 104.12 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 61.04 110.864 -179.811 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.28 -171.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.885 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 1.2 m -52.08 -35.5 47.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 65.14 111.164 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.32 -36.4 53.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 65.44 110.876 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 4.5 tpt -53.07 -37.87 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 74.02 110.869 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 -35.09 67.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.911 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.92 -39.47 83.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 65.45 110.86 -179.761 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . 0.419 ' HD2' HD13 ' B' ' 383' ' ' LEU . 0.2 OUTLIER -74.8 -34.81 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 64.45 110.917 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.621 ' HA ' HD12 ' B' ' 355' ' ' ILE . 24.9 mt -71.48 -47.68 53.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.909 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -57.89 -30.17 65.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 64.41 110.896 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -76.79 -41.5 44.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 71.42 110.875 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.1 mt -59.2 -41.47 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 75.43 111.147 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -71.95 -50.73 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.843 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.46 88.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.04 111.119 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -55.06 -42.37 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.87 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.5 HG22 HD12 ' B' ' 363' ' ' LEU . 37.2 mt -66.43 -34.59 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 62.43 111.136 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -58.41 -51.79 68.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.3 110.909 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -71.69 -33.75 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 75.2 110.893 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 6.6 p -73.91 -7.72 53.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.886 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.5 HD12 HG22 ' B' ' 359' ' ' ILE . 37.3 mt -115.09 26.4 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 45.15 110.888 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 170.47 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.41 110.901 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.011 HD11 HG22 ' A' ' 403' ' ' ILE . 5.8 tp -84.41 -37.7 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.33 111.115 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -92.86 -31.7 14.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 64.14 110.865 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -109.3 36.57 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 65.1 110.906 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' A' ' 406' ' ' PHE . 19.8 tp -53.42 107.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 73.24 110.943 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.38 81.16 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.898 179.86 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.616 ' HB ' HD11 ' A' ' 412' ' ' ILE . 12.2 m -60.65 -27.29 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 64.02 111.112 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -51.83 -39.56 59.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.881 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -75.92 -35.55 59.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 64.21 110.898 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.425 ' SG ' HG23 ' B' ' 359' ' ' ILE . 34.7 t -54.42 -54.62 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 61.02 110.905 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . 0.421 HD12 ' O ' ' B' ' 370' ' ' VAL . 3.3 mt -55.26 -50.04 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 64.33 111.152 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.81 -35.36 43.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 75.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.468 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.45 -52.96 9.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 73.15 111.077 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . 0.433 HD11 HG23 ' A' ' 412' ' ' ILE . 11.9 mt -52.17 -41.37 62.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 72.3 110.975 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.61 -47.82 83.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 54.03 110.882 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -47.27 79.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 62.51 110.893 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' B' ' 380' ' ' LEU . 0.8 OUTLIER -52.4 -54.54 30.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.964 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . 0.426 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -55.89 -34.28 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 71.22 111.077 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 8.6 t -71.41 -36.32 71.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 63.33 110.829 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.419 HD13 ' HD2' ' B' ' 351' ' ' ARG . 61.9 mt -72.94 148.65 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 71.02 110.905 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -104.13 71.1 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 65.43 110.921 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . 0.516 HG13 ' HB3' ' B' ' 389' ' ' GLN . 21.9 t -66.96 127.24 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 70.11 111.103 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . 0.443 HG22 ' CD ' ' B' ' 389' ' ' GLN . 14.6 t -89.88 173.69 8.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 45.24 111.117 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -46.5 81.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.865 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -56.2 -41.72 76.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.946 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . 0.516 ' HB3' HG13 ' B' ' 385' ' ' VAL . 0.9 OUTLIER -73.19 -35.98 66.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.904 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.09 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 62.03 111.122 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -35.9 48.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.868 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -82.87 -35.29 26.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 54.25 110.904 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -95.17 35.58 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.89 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.684 ' HA ' HD12 ' B' ' 397' ' ' ILE . 1.4 p -62.79 -35.24 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 54.13 111.104 -179.884 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.77 -44.58 81.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.888 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . 0.427 ' HB3' ' HE2' ' B' ' 396' ' ' MET . 43.6 ttp -55.34 -40.63 71.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.918 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.776 ' HA ' HD12 ' B' ' 400' ' ' LEU . 4.0 mt -68.58 -42.7 83.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 71.44 111.121 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 6.0 m -54.13 -35.6 62.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 55.43 111.126 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 97.0 m -73.68 -35.68 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 71.54 111.14 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' B' ' 397' ' ' ILE . 26.6 mt -57.8 -35.85 71.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.927 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -76.3 -28.62 57.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 60.31 110.911 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -75.44 -35.49 60.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.896 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 0.978 HG22 HD11 ' A' ' 365' ' ' ILE . 36.2 pt -73.36 -1.77 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 52.0 111.159 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -33.98 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 71.35 110.87 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.12 -19.95 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 65.42 110.902 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.493 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.3 OUTLIER -40.05 118.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.845 -179.937 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -174.17 135.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 62.2 110.876 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.6 129.1 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 71.22 111.122 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 25.2 t -65.19 171.28 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 64.22 110.876 -179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.93 -34.24 66.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.917 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . 0.407 HG13 HG13 ' B' ' 412' ' ' ILE . 5.1 p -53.19 -41.35 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.1 111.105 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.586 HD11 ' HB ' ' A' ' 370' ' ' VAL . 93.1 mt -73.56 -48.28 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 71.34 111.134 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 14.1 mtm -57.19 -34.28 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 75.13 110.842 179.886 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.91 -46.76 42.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 74.42 110.889 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -64.61 -37.98 89.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.926 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.9 p -55.89 -48.63 75.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 61.13 110.875 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . 0.487 HG22 ' ND2' ' B' ' 421' ' ' ASN . 92.4 m -54.75 -47.09 74.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 52.43 111.121 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 5.6 tpt -48.93 -47.15 43.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.866 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 381' ' ' ALA . 53.5 mt -75.86 -34.82 60.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 43.52 110.904 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -56.36 -64.14 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.05 110.94 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . 0.487 ' ND2' HG22 ' B' ' 417' ' ' THR . 9.5 p30 -62.41 -33.27 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 72.53 110.895 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -55.05 -46.49 75.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 71.45 110.927 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.436 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 41.1 m-85 -75.35 -35.63 61.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 54.34 110.848 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . 0.544 ' HG3' HD12 ' B' ' 444' ' ' LEU . 0.0 OUTLIER -51.42 -53.19 39.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 71.03 110.91 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -55.66 -33.39 64.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 62.42 110.893 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . 0.467 ' O ' HG23 ' B' ' 429' ' ' VAL . 7.7 mtm -75.88 -26.78 57.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.862 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . 0.719 ' CE2' HD13 ' A' ' 397' ' ' ILE . 12.3 m-85 -79.47 -35.78 39.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.875 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.479 HD12 ' N ' ' B' ' 429' ' ' VAL . 2.7 pp -86.74 -46.48 9.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 72.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.479 ' N ' HD12 ' B' ' 428' ' ' LEU . 96.0 t 51.76 82.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.106 179.852 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 93.19 -33.3 5.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 42.01 112.521 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.407 ' HB2' HD13 ' B' ' 428' ' ' LEU . 3.2 tt0 63.83 -168.5 0.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.917 0.389 . . . . 62.22 110.888 -179.872 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -50.25 115.47 3.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 64.44 112.5 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -94.64 101.83 13.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 74.12 110.886 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . 0.671 ' OG ' HG23 ' B' ' 435' ' ' VAL . 0.1 OUTLIER 65.1 160.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 63.33 110.87 -179.746 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.681 HG12 HG13 ' B' ' 436' ' ' ILE . 13.2 t 65.87 115.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 65.41 111.122 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.681 HG13 HG12 ' B' ' 435' ' ' VAL . 27.2 mt 65.17 147.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 70.25 111.157 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 23.8 p -115.25 31.71 6.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 73.13 111.186 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . 0.557 ' H ' HG22 ' B' ' 436' ' ' ILE . 22.8 tp60 -50.64 129.82 23.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 54.42 110.919 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 18.0 m -94.48 -173.07 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 74.11 111.132 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 1.3 mp 53.97 -174.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.93 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . 0.546 ' O ' ' HB2' ' B' ' 445' ' ' ALA . 2.5 m-80 -103.2 -169.13 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 71.33 110.923 179.878 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -110.54 -62.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.864 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 4.2 m -58.88 -55.04 40.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 55.1 110.869 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . 0.544 HD12 ' HG3' ' B' ' 424' ' ' LYS . 5.3 mt -64.14 -34.62 78.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 73.22 110.916 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' B' ' 441' ' ' ASN . . . -51.18 -35.29 35.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 72.51 111.113 179.798 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -54.93 -60.64 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.91 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -35.86 75.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.937 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 5.2 tmt_? -56.84 -63.12 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.896 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -39.71 69.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 73.21 110.901 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -53.26 -59.84 4.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 65.3 110.84 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -67.2 -35.89 80.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.871 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -35.59 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 65.55 110.829 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.27 -41.93 60.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 64.13 111.099 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -75.57 -50.92 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.42 110.906 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 25.7 tttt 55.08 41.9 31.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 72.25 110.912 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 95.0 m -49.31 -54.68 15.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 63.12 111.159 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.19 145.38 26.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.9 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -157.11 42.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.856 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -174.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 60.35 110.934 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -130.28 -96.61 0.76 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 71.53 112.479 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -158.94 134.5 8.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 72.41 110.928 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -147.41 80.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.891 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -100.92 -166.03 28.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 65.23 112.466 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -171.6 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.671 2.247 . . . . 74.05 112.349 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -70.35 -74.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.54 110.916 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 157.21 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.838 179.899 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 6.0 mttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 61.23 110.847 179.877 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.893 0.378 . . . . 74.34 110.868 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -162.06 137.21 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.511 . . . . 73.04 110.877 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -162.96 179.28 7.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 50.24 111.05 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -101.41 -176.43 3.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.12 111.098 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 72.5 m -138.78 135.8 35.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 73.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -168.77 156.22 7.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 71.32 110.926 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.75 133.11 50.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.11 111.144 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 6.8 m -68.78 -50.13 52.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 60.3 110.861 -179.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 3.6 tpt -59.87 -40.23 87.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 71.15 110.831 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -73.83 -35.81 64.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 75.24 110.849 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 43.0 t -70.91 -38.72 72.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 64.41 110.897 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -74.75 -34.64 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.889 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.741 ' HA ' HD12 ' A' ' 355' ' ' ILE . 12.1 mt -71.55 -47.24 56.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 73.52 110.909 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -57.52 -27.93 63.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.914 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -75.89 -36.35 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.862 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 352' ' ' LEU . 29.2 mt -63.11 -37.83 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 73.14 111.112 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -71.96 -48.54 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.44 110.827 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.66 93.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 63.02 111.103 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -55.0 -47.01 75.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.911 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 40.5 mt -69.74 -33.72 57.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 73.32 111.128 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -52.0 63.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.35 110.866 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -73.75 -27.93 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 61.12 110.906 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.2 p -79.02 -2.85 42.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.881 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 39.9 mt -120.52 26.33 9.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 63.44 110.881 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -70.03 169.9 12.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.893 179.829 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 1.001 HD11 HG22 ' B' ' 403' ' ' ILE . 6.2 tp -83.93 -38.98 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 75.13 111.098 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -93.53 -29.77 15.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.25 110.866 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -111.03 37.11 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 65.54 110.901 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.449 HD13 ' CD2' ' B' ' 406' ' ' PHE . 20.0 tp -52.34 107.41 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 61.41 110.907 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -129.55 79.69 1.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 74.15 110.906 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.708 ' HB ' HD11 ' B' ' 412' ' ' ILE . 15.5 m -62.42 -26.51 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 73.32 111.165 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -51.58 -40.38 59.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 71.21 110.849 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -33.56 59.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.877 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 31.4 t -53.29 -61.17 2.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.905 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -53.51 -47.09 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 55.44 111.166 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.91 -36.47 49.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.93 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.558 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -76.96 -50.33 13.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.118 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 6.1 mt -51.96 -36.0 47.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 72.3 110.906 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.62 -46.62 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 44.25 110.857 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.61 -44.5 93.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 34.12 110.893 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.818 HD12 HD12 ' B' ' 419' ' ' LEU . 0.6 OUTLIER -52.47 -51.78 57.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 52.31 110.925 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -57.09 -33.62 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 53.33 111.07 179.848 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.85 -36.47 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 74.33 110.851 -179.77 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.403 HD12 ' CD1' ' A' ' 355' ' ' ILE . 53.7 mt -71.86 113.67 9.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 63.21 110.951 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -74.45 74.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.866 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.09 120.05 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 44.12 111.12 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . 0.529 HG23 ' H ' ' A' ' 389' ' ' GLN . 13.0 t -80.43 163.59 23.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 72.12 111.142 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -48.26 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.878 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -51.68 -52.66 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 70.25 110.864 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . 0.529 ' H ' HG23 ' A' ' 386' ' ' THR . 0.4 OUTLIER -64.22 -37.85 88.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.93 -179.932 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.47 -51.31 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.095 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . 0.502 ' O ' HG23 ' A' ' 394' ' ' THR . 5.0 mt-30 -52.2 -36.08 50.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.914 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.36 -34.82 48.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.877 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.402 ' CE1' HD12 ' A' ' 352' ' ' LEU . 76.5 m80 -95.23 35.62 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 70.14 110.866 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.8 ' HA ' HD12 ' A' ' 397' ' ' ILE . 4.3 p -61.69 -35.44 78.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 63.35 111.168 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.84 -46.72 87.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 65.31 110.912 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . 0.498 ' HE2' ' HB3' ' A' ' 396' ' ' MET . 19.2 ttp -55.27 -40.69 71.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.888 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 394' ' ' THR . 8.5 mt -64.12 -46.6 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 64.34 111.132 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 1.7 m -55.28 -40.68 71.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 71.25 111.151 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 85.2 m -62.94 -38.61 91.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 64.32 111.131 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 397' ' ' ILE . 17.8 mt -59.01 -35.73 73.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.905 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -76.16 -29.02 57.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 75.05 110.894 179.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -75.04 -35.21 61.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 71.01 110.943 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.041 HG22 HD11 ' B' ' 365' ' ' ILE . 36.5 pt -74.11 -1.59 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.44 111.121 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -32.77 36.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 64.01 110.886 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.03 -20.39 7.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.936 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.469 ' HB3' ' HA ' ' A' ' 403' ' ' ILE . 0.3 OUTLIER -41.58 119.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.903 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.87 135.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.904 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.571 HG22 ' HB ' ' A' ' 412' ' ' ILE . 9.8 p -55.78 138.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 43.23 111.136 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.4 t -68.82 175.37 3.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.865 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -77.2 -35.84 55.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.926 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.99 -38.63 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.11 111.148 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.726 HD11 ' HB ' ' B' ' 370' ' ' VAL . 95.4 mt -65.42 -54.23 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.31 111.105 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 24.5 ptp -60.81 -32.85 72.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 65.12 110.897 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.44 -41.75 65.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.887 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -71.07 -39.1 72.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.884 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . 0.42 ' HB2' HD11 ' B' ' 403' ' ' ILE . 59.1 p -54.91 -48.17 73.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.89 -179.866 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 95.0 m -52.65 -46.72 67.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 73.02 111.135 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -52.26 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 71.21 110.866 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.796 HD12 HD12 ' B' ' 380' ' ' LEU . 4.3 mm? -67.37 -39.49 85.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 71.2 110.893 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -54.69 -51.86 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.889 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -69.8 -36.47 75.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.911 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -53.62 -47.39 70.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.885 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -70.89 -44.04 67.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 74.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -49.61 63.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 63.42 110.875 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.568 ' HA ' HD21 ' A' ' 428' ' ' LEU . 0.4 OUTLIER -51.4 -34.05 32.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 44.24 110.847 179.931 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 15.9 mtm -85.87 -26.28 25.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.873 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.461 ' CZ ' HD13 ' B' ' 397' ' ' ILE . 1.7 m-85 -67.39 -37.5 83.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 65.35 110.844 -179.916 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.78 HD12 HG12 ' A' ' 429' ' ' VAL . 0.8 OUTLIER -77.89 -57.6 3.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.931 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.78 HG12 HD12 ' A' ' 428' ' ' LEU . 13.1 p 179.31 52.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 70.12 111.11 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 50.54 -103.63 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 25.3 112.482 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -148.61 49.59 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 75.24 110.923 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -71.21 -135.38 0.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 64.41 112.505 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -95.64 36.06 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 72.32 110.859 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.01 122.97 47.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 75.02 110.881 -179.775 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.584 HG23 HG13 ' A' ' 436' ' ' ILE . 6.5 m -152.8 -178.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 45.03 111.103 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.584 HG13 HG23 ' A' ' 435' ' ' VAL . 15.1 mt 71.61 -70.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 70.31 111.113 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.61 119.62 5.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.3 111.169 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -107.8 35.9 2.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 73.44 110.928 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 6.3 m -152.83 71.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 34.11 111.127 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 440' ' ' LEU . 4.5 mm? -91.61 -35.86 14.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 61.0 110.935 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -51.9 104.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.856 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -116.1 -36.64 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.903 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 27.2 m -64.05 -54.99 25.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 75.3 110.832 -179.871 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.53 -35.87 65.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 75.3 110.905 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.71 -34.94 41.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.32 111.103 179.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.13 -60.73 2.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 72.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.89 -35.67 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 64.54 110.93 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -59.9 -35.74 75.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 53.15 110.919 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . 0.454 ' O ' ' HB2' ' A' ' 453' ' ' ALA . 2.3 mt-30 -51.73 -36.0 45.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.924 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -68.78 -49.29 59.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.886 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -58.7 5.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.875 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -51.89 -36.72 49.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.21 110.856 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 449' ' ' GLN . . . -51.69 -37.08 49.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 74.2 111.111 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -52.56 -44.37 65.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.834 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 62.9 104.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.886 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.0 m -118.81 -43.0 2.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 60.34 111.148 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -103.46 160.12 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 72.51 110.912 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -155.75 87.99 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 75.11 110.894 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -84.2 167.8 16.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 44.03 110.889 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -77.83 -168.09 31.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.68 -0.771 . . . . 70.4 112.513 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.49 160.35 33.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 74.2 110.88 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -100.51 -51.49 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 65.12 110.889 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . -174.28 169.88 42.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 54.43 112.484 179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 127.58 14.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 72.11 112.332 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.5 120.81 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 63.41 110.886 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.69 170.12 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.894 179.889 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 65.2 110.891 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.887 0.375 . . . . 74.43 110.838 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -162.11 137.36 7.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 74.02 110.862 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -163.13 179.28 7.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 50.42 111.102 179.859 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -101.34 -176.31 3.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 75.44 111.089 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 72.9 m -139.14 135.79 34.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 61.04 110.883 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -169.42 155.86 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.872 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.41 133.52 45.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 65.14 111.155 -179.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 6.8 m -69.78 -51.51 33.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 65.44 110.827 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 3.6 tpt -58.38 -40.31 81.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 74.02 110.86 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -73.21 -36.05 66.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.876 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 43.2 t -70.32 -39.52 74.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 65.45 110.867 -179.797 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -74.54 -35.1 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 64.45 110.882 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.812 ' HA ' HD12 ' B' ' 355' ' ' ILE . 14.2 mt -71.42 -47.92 52.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 63.21 110.962 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -58.22 -30.26 66.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 64.41 110.94 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -72.16 -36.61 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 71.42 110.85 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' B' ' 352' ' ' LEU . 19.0 mt -62.81 -40.35 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 75.43 111.113 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -67.83 -49.27 63.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.854 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.11 93.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 75.04 111.082 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -55.4 -46.08 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 74.45 110.892 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.47 HG22 HD12 ' B' ' 363' ' ' LEU . 40.7 mt -70.65 -33.79 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 62.43 111.124 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -55.59 -51.69 66.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.3 110.913 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -73.18 -26.59 61.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.926 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 3.2 p -82.1 -0.99 47.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 71.21 110.879 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.47 HD12 HG22 ' B' ' 359' ' ' ILE . 33.5 mt -121.34 26.35 8.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 45.15 110.911 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 170.74 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.891 179.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.041 HD11 HG22 ' A' ' 403' ' ' ILE . 6.1 tp -84.25 -39.3 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.139 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.402 ' N ' HG23 ' B' ' 365' ' ' ILE . 4.9 p-10 -92.85 -30.65 15.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 64.14 110.861 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -110.23 37.21 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 65.1 110.908 -179.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 22.8 tp -52.36 107.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.914 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.41 80.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.899 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.726 ' HB ' HD11 ' A' ' 412' ' ' ILE . 15.4 m -63.05 -26.22 40.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 64.02 111.148 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -51.63 -40.44 59.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 73.44 110.906 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -33.46 60.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.853 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.34 -61.26 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 61.02 110.881 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.9 mt -53.54 -46.19 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 64.33 111.121 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.93 -37.23 51.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.709 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -76.94 -49.19 16.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 73.15 111.08 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 6.1 mt -52.1 -35.45 47.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 72.3 110.891 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -66.51 -45.09 80.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 54.03 110.913 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -60.46 -45.53 93.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 62.51 110.879 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 419' ' ' LEU . 0.6 OUTLIER -52.4 -52.34 54.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 72.31 110.901 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.39 -33.66 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 71.22 111.104 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -36.33 62.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 63.33 110.834 -179.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.2 mt -72.39 113.9 9.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 71.02 110.939 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -74.29 74.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 65.43 110.922 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . 0.412 HG22 HD11 ' B' ' 352' ' ' LEU . 21.4 t -66.9 119.96 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 70.11 111.104 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . 0.531 HG23 ' H ' ' B' ' 389' ' ' GLN . 12.8 t -79.27 163.32 25.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 45.24 111.139 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . . . . . . . . . 14.3 tpt -53.11 -47.16 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.883 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -52.01 -52.1 52.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.911 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . 0.531 ' H ' HG23 ' B' ' 386' ' ' THR . 0.4 OUTLIER -65.04 -35.98 82.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.939 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -55.64 -51.37 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 62.03 111.078 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . 0.485 ' O ' HG23 ' B' ' 394' ' ' THR . 4.9 mt-30 -52.95 -36.12 59.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.943 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -35.44 51.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 54.25 110.864 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -95.25 35.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.873 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.791 ' HA ' HD12 ' B' ' 397' ' ' ILE . 4.2 p -61.6 -35.4 77.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 54.13 111.138 -179.898 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.68 -46.33 87.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 74.34 110.925 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . 0.508 ' HB3' ' HE2' ' B' ' 396' ' ' MET . 18.5 ttp -55.34 -41.61 72.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.869 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' B' ' 394' ' ' THR . 7.5 mt -63.64 -46.09 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.44 111.089 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 1.7 m -55.5 -40.7 72.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 55.43 111.138 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 85.0 m -63.14 -39.3 94.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 71.54 111.167 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' B' ' 397' ' ' ILE . 18.6 mt -58.14 -35.81 72.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.909 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -76.18 -29.02 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 60.31 110.88 179.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -75.05 -35.17 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.883 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 1.001 HG22 HD11 ' A' ' 365' ' ' ILE . 36.5 pt -74.11 -1.84 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 52.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -32.89 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 71.35 110.814 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.73 -20.35 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 65.42 110.874 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.488 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 0.5 OUTLIER -41.79 118.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 70.24 110.941 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.5 134.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 62.2 110.874 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' B' ' 412' ' ' ILE . 9.7 p -54.66 139.06 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 71.22 111.139 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 3.1 t -69.69 176.06 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 64.22 110.852 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -77.67 -35.89 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.924 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.18 -38.53 81.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 73.1 111.145 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.708 HD11 ' HB ' ' A' ' 370' ' ' VAL . 95.2 mt -65.32 -54.09 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 71.34 111.142 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 25.1 ptp -60.84 -32.91 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.849 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.15 -42.42 65.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.928 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -70.4 -39.01 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 74.32 110.867 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.433 ' HB2' HD11 ' A' ' 403' ' ' ILE . 56.2 p -55.04 -48.21 73.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 61.13 110.86 -179.874 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 95.8 m -52.83 -46.78 67.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 52.43 111.116 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -52.25 49.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.22 110.842 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.818 HD12 HD12 ' A' ' 380' ' ' LEU . 4.2 mm? -67.12 -40.24 86.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 43.52 110.932 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -54.0 -52.55 60.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 75.05 110.913 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -69.06 -36.54 77.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 72.53 110.896 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -53.64 -46.99 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.45 110.88 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.22 -43.99 66.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 54.34 110.894 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -49.79 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 71.03 110.865 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . 0.583 ' HA ' HD21 ' B' ' 428' ' ' LEU . 0.2 OUTLIER -51.46 -34.13 34.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 62.42 110.916 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 17.2 mtm -85.8 -25.44 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.908 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . 0.482 ' CZ ' HD13 ' A' ' 397' ' ' ILE . 1.8 m-85 -68.89 -37.35 78.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.915 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.797 HD12 HG12 ' B' ' 429' ' ' VAL . 0.9 OUTLIER -77.62 -56.95 4.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 72.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.797 HG12 HD12 ' B' ' 428' ' ' LEU . 12.7 p 178.69 52.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.097 179.861 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 50.68 -103.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 42.01 112.438 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -148.7 50.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 62.22 110.929 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -68.15 -134.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 64.44 112.536 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 30.4 p30 -98.67 37.85 1.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 74.12 110.863 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.68 111.21 21.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 63.33 110.837 -179.76 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.542 ' O ' HG23 ' B' ' 436' ' ' ILE . 4.3 m -153.32 81.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 65.41 111.133 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.542 HG23 ' O ' ' B' ' 435' ' ' VAL . 0.3 OUTLIER -170.02 -75.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 70.25 111.111 179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.05 119.73 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.13 111.125 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.97 40.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 54.42 110.914 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 6.4 m -152.7 68.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 74.11 111.121 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.22 -36.06 15.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 73.25 110.898 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' B' ' 445' ' ' ALA . 31.7 t-20 -53.32 104.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 71.33 110.88 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -115.66 -36.17 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.893 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 27.2 m -64.25 -54.9 26.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 55.1 110.833 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.9 -35.83 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.934 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' B' ' 441' ' ' ASN . . . -51.56 -34.94 39.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 72.51 111.129 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.15 -60.76 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.908 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -35.84 75.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.926 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -59.79 -35.97 75.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 73.21 110.904 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' B' ' 453' ' ' ALA . 2.3 mt-30 -51.53 -35.89 42.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.938 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -69.28 -48.54 61.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 65.3 110.886 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -59.32 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.915 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -51.9 -36.28 48.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 65.55 110.887 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' B' ' 449' ' ' GLN . . . -51.77 -37.26 50.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 64.13 111.124 179.907 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -52.43 -44.17 65.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.93 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 62.86 103.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 72.25 110.91 179.865 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 7.0 m -118.53 -42.76 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 63.12 111.112 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -103.6 160.09 15.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 73.2 110.846 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -155.7 88.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.849 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -84.07 167.87 16.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 60.35 110.901 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -77.78 -168.01 30.78 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.745 . . . . 71.53 112.485 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.67 160.38 33.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 72.41 110.9 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -100.67 -51.32 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.862 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . -174.43 169.9 42.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 65.23 112.498 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 127.58 14.84 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.741 2.294 . . . . 74.05 112.318 -179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.55 120.83 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 71.54 110.898 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.79 170.0 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.867 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 61.23 110.927 179.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.843 0.354 . . . . 74.34 110.817 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.16 -37.15 34.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 73.04 110.908 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.59 148.75 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 50.24 111.072 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -141.93 -172.95 3.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.12 111.115 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 2.5 p -53.7 121.91 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 73.0 110.857 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.98 155.44 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 71.32 110.902 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.34 49.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 73.11 111.126 -179.885 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.09 -44.37 64.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 60.3 110.846 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 2.8 ttt -53.0 -35.26 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 71.15 110.914 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.55 -48.1 35.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.24 110.873 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.02 -40.39 73.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 64.41 110.865 -179.753 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.573 ' HE ' HD21 ' A' ' 383' ' ' LEU . 6.1 ptm85 -75.5 -34.28 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 74.54 110.883 -179.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.516 HD23 ' CG ' ' A' ' 393' ' ' HIS . 0.9 OUTLIER -61.01 -47.96 84.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.52 110.886 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -25.65 43.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.906 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -76.98 -34.91 57.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 75.43 110.88 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.464 HG23 ' HB1' ' A' ' 376' ' ' ALA . 73.3 mt -64.99 -42.22 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.14 111.13 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -71.86 -39.0 69.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 71.44 110.889 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.9 -45.89 66.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 63.02 111.086 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -54.98 -53.72 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.895 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . 0.554 HG22 HD12 ' A' ' 363' ' ' LEU . 41.8 mt -54.24 -34.25 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 73.32 111.134 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.32 -45.46 94.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.941 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -75.78 -30.55 59.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 61.12 110.882 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.6 p -80.86 -1.21 42.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.911 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . 0.554 HD12 HG22 ' A' ' 359' ' ' ILE . 35.2 mt -121.6 26.19 8.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 63.44 110.946 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -70.99 171.16 11.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.931 179.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 1.075 HD11 HG22 ' B' ' 403' ' ' ILE . 6.0 tp -84.34 -40.32 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 75.13 111.187 179.821 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.42 ' N ' HG23 ' A' ' 365' ' ' ILE . 25.0 t0 -93.65 -30.65 14.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.865 179.832 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -109.8 36.26 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 65.54 110.913 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.518 HD13 ' CD2' ' B' ' 406' ' ' PHE . 23.1 tp -53.34 107.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 61.41 110.948 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -124.62 67.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.906 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.718 ' HB ' HD11 ' B' ' 412' ' ' ILE . 9.6 m -51.06 -30.97 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 73.32 111.139 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -52.27 -41.31 62.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.894 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -34.33 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.872 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . 0.437 ' SG ' HG23 ' A' ' 359' ' ' ILE . 34.9 t -53.33 -46.07 69.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 70.04 110.866 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.7 mt -65.64 -48.44 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 55.44 111.129 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.79 -34.74 41.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.902 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.464 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -75.96 -53.52 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.084 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 44.7 mt -52.22 -42.76 63.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 72.3 110.904 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -34.91 76.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 44.25 110.837 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.16 -45.31 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 34.12 110.864 -179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.636 HD11 ' CZ ' ' B' ' 423' ' ' PHE . 3.4 tm? -60.37 -34.88 74.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 52.31 110.903 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.765 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -74.72 -34.41 62.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 53.33 111.086 179.81 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 5.8 m -77.34 -33.97 55.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.882 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.573 HD21 ' HE ' ' A' ' 351' ' ' ARG . 23.2 mt -55.1 -35.07 64.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 63.21 110.878 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 60.15 49.21 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.02 110.864 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.64 140.62 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 44.12 111.161 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -85.94 174.35 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 72.12 111.149 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . 0.62 ' HE2' HD13 ' B' ' 440' ' ' LEU . 10.6 tpt -62.16 -36.9 83.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 74.23 110.872 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -54.29 -51.56 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 70.25 110.89 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -74.27 -36.04 63.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 70.44 110.937 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.06 96.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.34 111.063 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -35.93 43.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 75.25 110.917 -179.901 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -73.03 -35.05 66.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.937 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.516 ' CG ' HD23 ' A' ' 352' ' ' LEU . 67.8 m80 -101.26 35.73 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 70.14 110.847 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.504 HG22 ' CE2' ' B' ' 427' ' ' PHE . 0.8 OUTLIER -54.77 -34.85 63.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 63.35 111.148 -179.922 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.04 -38.22 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 65.31 110.894 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 36.2 ttp -55.3 -45.88 76.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 74.31 110.855 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.769 ' HA ' HD12 ' A' ' 400' ' ' LEU . 2.8 mp -62.03 -36.49 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 64.34 111.082 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 25.8 m -54.22 -36.73 63.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 71.25 111.09 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 92.7 m -73.61 -35.19 65.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 64.32 111.149 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 397' ' ' ILE . 30.7 mt -59.09 -36.28 74.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.929 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -29.26 57.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 75.05 110.847 179.858 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -75.4 -35.51 61.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 71.01 110.941 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.039 HG22 HD11 ' B' ' 365' ' ' ILE . 39.9 pt -73.38 -1.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.44 111.151 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -33.89 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 64.01 110.841 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . 0.52 HH21 HD23 ' B' ' 368' ' ' LEU . 0.0 OUTLIER -120.43 -20.08 7.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.91 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.563 ' HE1' HG13 ' B' ' 408' ' ' VAL . 0.7 OUTLIER -42.89 113.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.891 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -175.67 133.65 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.897 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.575 HG13 ' HE1' ' B' ' 406' ' ' PHE . 2.3 m -52.18 144.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 43.23 111.086 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.1 m -85.54 156.46 20.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.834 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -51.99 -35.75 47.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.925 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . 0.421 HG13 HG13 ' A' ' 412' ' ' ILE . 6.4 p -59.04 -39.8 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 73.11 111.117 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.707 HD11 ' HB ' ' B' ' 370' ' ' VAL . 78.6 mt -72.24 -49.55 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 74.31 111.112 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 18.8 mtm -61.55 -32.31 72.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 65.12 110.932 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.35 -53.19 13.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.858 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -59.54 -38.61 81.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.835 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . 0.424 ' HB2' HD11 ' B' ' 403' ' ' ILE . 58.8 p -55.04 -49.55 71.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 71.33 110.895 -179.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 87.4 m -55.52 -47.7 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 73.02 111.108 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 6.6 ttp -50.95 -44.97 60.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 71.21 110.907 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' B' ' 381' ' ' ALA . 90.2 mt -74.34 -40.45 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 71.2 110.912 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -57.94 -60.76 3.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.905 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.28 -35.1 71.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 73.14 110.885 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -56.94 -49.64 75.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.868 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.631 ' CZ ' HD11 ' B' ' 380' ' ' LEU . 55.5 m-85 -70.14 -37.15 75.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -60.77 -47.13 87.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 63.42 110.875 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.456 ' HA ' HD21 ' A' ' 428' ' ' LEU . 27.8 t-20 -51.86 -34.95 43.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 44.24 110.866 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . . . . . . . . . 67.0 mtm -85.86 -34.88 20.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 74.21 110.911 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.46 ' CE2' HD13 ' B' ' 397' ' ' ILE . 7.5 m-85 -63.17 -37.01 85.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.35 110.894 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 429' ' ' VAL . 4.3 pp -77.0 -34.27 57.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.872 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.567 ' N ' HD12 ' A' ' 428' ' ' LEU . 97.9 t 59.44 84.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 70.12 111.15 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 73.16 90.67 0.13 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.73 . . . . 25.3 112.485 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.86 145.83 55.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.391 . . . . 75.24 110.881 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . 76.99 125.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 64.41 112.486 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -153.89 172.63 17.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 72.32 110.885 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 19.4 m -128.11 99.21 5.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 75.02 110.85 -179.798 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 436' ' ' ILE . 4.6 t 66.54 43.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 45.03 111.136 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 435' ' ' VAL . 0.4 OUTLIER -169.56 135.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 70.31 111.134 179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 12.3 t -130.08 140.74 50.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 73.3 111.14 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -97.91 70.65 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.898 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 24.8 m -51.84 140.75 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 34.11 111.11 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.412 HD13 ' HE2' ' B' ' 387' ' ' MET . 1.6 mt -165.8 -69.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 61.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -162.41 61.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.861 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.07 13.46 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 73.11 110.884 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 2.6 t -62.27 -38.61 89.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 75.3 110.904 -179.917 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.53 -35.87 68.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 75.3 110.896 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.8 -38.06 54.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.32 111.066 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -57.69 -38.64 75.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 72.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -70.54 -35.98 73.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 64.54 110.913 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -52.02 -60.72 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 53.15 110.863 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.56 -36.17 69.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 74.13 110.878 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.03 -59.69 4.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.879 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.43 -43.25 64.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.885 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.27 -35.95 51.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.838 -179.914 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -56.6 -36.59 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.2 111.074 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -44.68 70.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.879 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -91.52 -172.9 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.893 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -171.11 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 60.34 111.144 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.87 120.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 72.51 110.871 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.95 124.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.916 179.894 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 179.27 -173.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 44.03 110.909 -179.898 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -163.73 55.17 0.28 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 70.4 112.506 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.34 49.82 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 74.2 110.914 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.38 168.34 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.907 179.864 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 60.65 167.1 0.32 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 54.43 112.492 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 78.72 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.265 . . . . 72.11 112.346 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 2.4 m120 57.31 36.26 27.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 63.41 110.898 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -126.91 -178.46 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.872 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 10.7 mttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 65.2 110.887 179.83 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.341 . . . . 74.43 110.861 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -37.21 33.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.02 110.836 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.54 148.9 28.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 50.42 111.082 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . . . . . . . . . . . -141.82 -173.12 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.153 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 2.5 p -53.89 121.93 8.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 61.04 110.844 -179.802 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.18 155.02 42.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 74.35 110.909 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . 0.411 HG22 ' CB ' ' B' ' 349' ' ' ASP . 0.2 OUTLIER -97.82 48.97 1.02 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 65.14 111.173 -179.937 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -44.45 63.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 65.44 110.839 -179.849 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . . . . . . . . . 2.9 ttt -53.18 -36.46 60.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.02 110.87 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . 0.411 ' CB ' HG22 ' B' ' 346' ' ' THR . 2.1 t70 -72.88 -45.84 56.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 75.42 110.872 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -40.41 80.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 65.45 110.862 -179.77 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . 0.669 ' CZ ' HD21 ' B' ' 383' ' ' LEU . 12.7 ptm180 -75.16 -34.24 61.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 64.45 110.906 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.507 HD23 ' CG ' ' B' ' 393' ' ' HIS . 0.9 OUTLIER -60.54 -47.74 84.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 63.21 110.919 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -25.25 42.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 64.41 110.854 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -76.79 -35.74 57.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 71.42 110.906 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.532 HG23 ' HB1' ' B' ' 376' ' ' ALA . 70.8 mt -64.8 -42.66 95.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 75.43 111.174 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -70.76 -39.43 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.855 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.93 67.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.04 111.095 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.28 -53.16 59.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.855 -179.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . 0.575 HG22 HD12 ' B' ' 363' ' ' LEU . 38.1 mt -54.18 -35.34 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 62.43 111.137 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -62.99 -43.38 98.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 74.3 110.897 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -76.05 -29.24 57.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.891 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 6.7 p -84.33 -0.51 52.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.894 -179.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . 0.575 HD12 HG22 ' B' ' 359' ' ' ILE . 33.4 mt -120.85 26.58 9.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 45.15 110.881 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 171.94 10.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.909 179.811 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.039 HD11 HG22 ' A' ' 403' ' ' ILE . 5.9 tp -84.71 -40.71 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.155 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.426 ' N ' HG23 ' B' ' 365' ' ' ILE . 25.2 t0 -93.16 -31.52 14.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 64.14 110.872 179.867 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -108.7 36.22 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 65.1 110.916 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.52 HD23 HH21 ' A' ' 405' ' ' ARG . 22.7 tp -53.62 107.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.879 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -124.99 67.86 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.867 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.707 ' HB ' HD11 ' A' ' 412' ' ' ILE . 9.9 m -51.23 -30.44 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 64.02 111.111 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -52.19 -41.38 62.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 73.44 110.903 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -34.14 60.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 64.21 110.86 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . 0.437 ' SG ' HG23 ' B' ' 359' ' ' ILE . 33.0 t -53.16 -47.1 69.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 61.02 110.861 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.7 mt -64.99 -47.59 87.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 64.33 111.128 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.9 -35.49 45.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.532 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.62 -53.84 7.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 73.15 111.09 179.922 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 44.6 mt -52.21 -42.66 63.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 72.3 110.891 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -35.02 76.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 54.03 110.852 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.55 -45.33 72.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 62.51 110.852 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.631 HD11 ' CZ ' ' A' ' 423' ' ' PHE . 3.4 tm? -59.29 -35.67 74.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 72.31 110.898 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . 0.703 ' HB2' HD21 ' A' ' 419' ' ' LEU . . . -74.07 -34.79 64.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 71.22 111.157 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 5.8 m -76.48 -34.06 58.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.33 110.849 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.669 HD21 ' CZ ' ' B' ' 351' ' ' ARG . 27.4 mt -55.31 -34.85 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 71.02 110.959 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 59.8 49.38 8.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 65.43 110.946 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.78 141.22 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 70.11 111.16 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . . . . . . . . . 14.6 t -86.83 174.34 8.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 45.24 111.162 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . 0.422 ' HE1' ' HG2' ' B' ' 391' ' ' GLN . 11.3 tpt -61.86 -38.24 87.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 75.31 110.86 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -52.17 -52.01 54.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 74.44 110.93 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -36.04 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.879 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.69 92.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 62.03 111.123 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . 0.422 ' HG2' ' HE1' ' B' ' 387' ' ' MET . 0.0 OUTLIER -51.75 -35.9 45.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.905 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -72.61 -35.58 67.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 54.25 110.909 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . 0.507 ' CG ' HD23 ' B' ' 352' ' ' LEU . 68.7 m80 -101.12 35.66 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.898 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.74 -35.21 63.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 54.13 111.117 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.38 -38.15 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.871 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 35.5 ttp -55.4 -46.6 76.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.889 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.766 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.7 mp -61.11 -35.48 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.44 111.146 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . . . . . . . . . 26.0 m -54.96 -37.54 66.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 55.43 111.142 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 94.4 m -72.59 -35.61 67.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 71.54 111.188 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.766 HD12 ' HA ' ' B' ' 397' ' ' ILE . 29.6 mt -58.5 -36.61 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 75.11 110.887 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -28.91 57.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 60.31 110.946 179.812 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -75.59 -35.36 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 72.14 110.907 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 1.075 HG22 HD11 ' A' ' 365' ' ' ILE . 39.9 pt -73.46 -1.7 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 52.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.15 -34.01 43.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.35 110.869 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.47 HH21 HD23 ' A' ' 368' ' ' LEU . 0.0 OUTLIER -120.22 -20.25 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 65.42 110.897 -179.942 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.575 ' HE1' HG13 ' A' ' 408' ' ' VAL . 0.8 OUTLIER -42.68 113.45 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 70.24 110.912 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -175.65 133.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 62.2 110.919 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.563 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.3 m -51.95 145.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.22 111.161 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . 0.426 ' H ' HD12 ' B' ' 412' ' ' ILE . 3.1 m -86.28 156.36 20.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 64.22 110.863 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -51.76 -35.79 44.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.91 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . 0.404 HG13 HG13 ' B' ' 412' ' ' ILE . 6.3 p -59.12 -40.18 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.1 111.102 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.718 HD11 ' HB ' ' A' ' 370' ' ' VAL . 77.7 mt -71.6 -50.41 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 71.34 111.147 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 18.7 mtm -60.89 -32.84 72.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 75.13 110.879 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.63 -53.44 13.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.847 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -59.41 -39.51 83.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.872 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . 0.451 ' HB2' HD11 ' A' ' 403' ' ' ILE . 60.0 p -55.06 -48.33 73.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 61.13 110.855 -179.901 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 90.4 m -55.38 -51.65 66.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 52.43 111.168 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 6.6 ttp -48.88 -43.71 39.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.916 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.765 HD21 ' HB2' ' A' ' 381' ' ' ALA . 86.4 mt -75.15 -34.91 61.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 43.52 110.913 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -60.48 -63.06 1.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.905 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -59.57 -31.4 69.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 72.53 110.902 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -56.26 -47.98 77.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 71.45 110.889 179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . 0.636 ' CZ ' HD11 ' A' ' 380' ' ' LEU . 57.0 m-85 -75.75 -35.89 60.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 54.34 110.896 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -60.57 -47.7 85.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.9 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . 0.406 ' HA ' HD21 ' B' ' 428' ' ' LEU . 27.8 t-20 -51.49 -35.16 38.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 62.42 110.87 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . . . . . . . . . 67.6 mtm -85.81 -33.73 21.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.891 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . 0.504 ' CE2' HG22 ' A' ' 394' ' ' THR . 3.1 m-30 -63.59 -37.15 86.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.84 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.558 HD12 ' N ' ' B' ' 429' ' ' VAL . 4.3 pp -77.67 -34.73 52.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 72.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.558 ' N ' HD12 ' B' ' 428' ' ' LEU . 97.1 t 60.05 83.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.135 179.839 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 74.98 91.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 42.01 112.512 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.25 145.82 53.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 62.22 110.886 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . 72.34 121.89 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.763 . . . . 64.44 112.47 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -161.28 169.62 21.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.824 0.345 . . . . 74.12 110.901 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 19.5 m -118.88 118.15 30.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 63.33 110.837 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . 0.809 HG12 HG13 ' B' ' 436' ' ' ILE . 13.3 t 66.07 117.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 65.41 111.108 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . 0.809 HG13 HG12 ' B' ' 435' ' ' VAL . 13.0 mt 67.72 140.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 70.25 111.136 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 13.0 t -124.87 169.56 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 73.13 111.172 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -88.28 80.11 7.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 54.42 110.89 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 24.9 m -64.11 143.18 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 74.11 111.159 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . 0.62 HD13 ' HE2' ' A' ' 387' ' ' MET . 1.8 mt -163.79 -72.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 73.25 110.884 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -156.75 61.55 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.938 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.48 13.56 23.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.907 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 2.6 t -61.51 -38.77 88.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 55.1 110.835 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -35.89 69.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 73.22 110.935 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.62 -37.85 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.51 111.131 179.759 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.67 -38.53 75.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.883 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -70.83 -35.92 72.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 75.01 110.922 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -51.82 -61.4 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 73.21 110.868 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.01 -35.91 67.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.913 -179.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.15 -59.37 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 65.3 110.801 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -72.76 -43.27 63.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 75.43 110.917 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -36.49 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 65.55 110.889 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -53.22 -35.67 60.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 64.13 111.075 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.37 -41.28 61.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.856 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -79.3 -170.39 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.25 110.867 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.08 94.04 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.12 111.19 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 177.61 35.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 73.2 110.888 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.57 -167.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.888 179.857 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 68.2 164.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 60.35 110.908 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -141.96 72.78 0.38 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.716 -0.754 . . . . 71.53 112.47 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.01 48.35 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 72.41 110.873 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.23 172.17 7.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 72.34 110.878 179.838 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 61.28 165.79 0.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.753 . . . . 65.23 112.528 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 79.63 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 74.05 112.328 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 2.4 m120 56.48 36.52 27.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 71.54 110.877 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -126.37 -178.55 4.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.905 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 10.8 mttp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 61.23 110.927 179.843 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.876 0.37 . . . . 74.34 110.83 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -110.27 -169.9 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 73.04 110.876 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . 179.7 118.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 50.24 111.058 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . 0.641 ' HB1' ' SD ' ' A' ' 348' ' ' MET . . . -82.66 107.56 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.095 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 344' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.06 46.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 73.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.15 -170.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.933 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 346' ' ' THR . . . . . . . . . . . . . 20.4 p -51.69 -34.69 39.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 73.11 111.112 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.9 m -51.48 -35.9 42.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 60.3 110.896 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . 0.641 ' SD ' ' HB1' ' A' ' 343' ' ' ALA . 0.0 OUTLIER -53.17 -36.16 60.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 71.15 110.821 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.47 -39.88 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 75.24 110.865 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -37.47 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 64.41 110.909 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -74.99 -33.89 61.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 74.54 110.84 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 352' ' ' LEU . . . . . 0.564 ' HA ' HD12 ' A' ' 355' ' ' ILE . 2.3 mp -71.19 -47.78 55.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.903 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 353' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -56.07 -30.37 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.894 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.44 -39.4 46.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.859 -179.895 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 355' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 352' ' ' LEU . 22.8 mt -63.0 -37.07 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.14 111.114 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 356' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -72.07 -45.85 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 71.44 110.914 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.15 86.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 63.02 111.123 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.0 -41.68 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.869 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 359' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.9 -35.45 59.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 73.32 111.121 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -54.77 -48.74 72.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.902 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 361' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.62 -28.98 59.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 61.12 110.922 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 4.2 p -78.19 -3.08 40.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.51 110.878 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 363' ' ' LEU . . . . . . . . . . . . . 55.6 mt -121.74 26.21 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 63.44 110.932 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 171.36 8.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.907 179.859 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 365' ' ' ILE . . . . . 1.035 HD11 HG22 ' B' ' 403' ' ' ILE . 5.5 tp -84.74 -41.94 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.163 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.428 ' N ' HG23 ' A' ' 365' ' ' ILE . 31.3 t70 -91.43 -32.72 15.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.849 179.868 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 367' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -109.67 36.26 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 65.54 110.883 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 368' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' B' ' 406' ' ' PHE . 16.4 tp -53.56 107.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 61.41 110.918 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 369' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -123.98 70.05 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.877 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 370' ' ' VAL . . . . . 0.692 ' HB ' HD11 ' B' ' 412' ' ' ILE . 6.3 m -54.34 -29.52 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.32 111.132 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 371' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -52.08 -40.29 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 71.21 110.879 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 372' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.81 -34.48 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.865 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 373' ' ' CYS . . . . . . . . . . . . . 38.0 t -53.36 -45.29 69.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 70.04 110.886 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -66.84 -37.67 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 55.44 111.147 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 375' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.39 -36.14 81.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.895 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . 0.455 ' HB1' HG23 ' A' ' 355' ' ' ILE . . . -77.04 -53.8 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.147 179.897 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 15.9 mt -52.07 -43.72 63.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.905 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 378' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -62.97 -33.64 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 44.25 110.883 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 379' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.43 -49.07 65.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 34.12 110.89 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 380' ' ' LEU . . . . . 0.663 HD12 HD22 ' B' ' 419' ' ' LEU . 3.3 tm? -51.65 -44.31 62.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 52.31 110.925 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.515 ' HB2' HD21 ' B' ' 419' ' ' LEU . . . -60.91 -26.44 67.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 53.33 111.089 179.787 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.59 27.23 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.849 -179.729 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.409 HD11 ' CD1' ' A' ' 355' ' ' ILE . 17.4 mt -114.87 -32.42 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 63.21 110.901 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 49.56 48.54 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 74.02 110.925 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 385' ' ' VAL . . . . . . . . . . . . . 11.1 p -67.16 148.17 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 44.12 111.133 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 386' ' ' THR . . . . . . . . . . . . . 14.0 t -80.23 175.21 10.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 72.12 111.112 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 387' ' ' MET . . . . . 0.492 ' HE2' ' HA ' ' B' ' 427' ' ' PHE . 10.6 tpt -69.6 -40.04 76.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.819 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 388' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -51.84 -49.2 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 70.25 110.89 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.04 -35.7 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 70.44 110.89 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.88 98.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 73.34 111.081 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -36.03 42.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 75.25 110.924 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 392' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -72.78 -34.31 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 71.12 110.944 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.468 ' CG ' HD23 ' A' ' 352' ' ' LEU . 75.7 m80 -95.4 35.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 70.14 110.899 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.559 ' HA ' HD12 ' A' ' 397' ' ' ILE . 0.2 OUTLIER -54.31 -34.66 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 63.35 111.148 -179.884 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.7 -43.65 97.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 65.31 110.877 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 396' ' ' MET . . . . . . . . . . . . . 34.4 ttp -55.25 -43.69 74.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.895 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 397' ' ' ILE . . . . . 0.735 ' HA ' HD12 ' A' ' 400' ' ' LEU . 3.4 mt -64.7 -45.07 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 64.34 111.094 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . 0.448 HG22 ' HE2' ' A' ' 402' ' ' LYS . 0.6 OUTLIER -54.16 -34.72 61.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 71.25 111.158 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 399' ' ' THR . . . . . . . . . . . . . 86.4 m -71.09 -34.94 71.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 64.32 111.111 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 397' ' ' ILE . 31.0 mt -61.61 -36.31 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.892 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -76.33 -28.84 57.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 75.05 110.917 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.448 ' HE2' HG22 ' A' ' 398' ' ' THR . 16.5 mttm -75.08 -35.77 61.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 71.01 110.884 179.875 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 403' ' ' ILE . . . . . 1.049 HG22 HD11 ' B' ' 365' ' ' ILE . 36.4 pt -73.16 -2.02 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 75.44 111.126 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -34.13 49.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 64.01 110.884 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 -19.98 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 75.44 110.859 -179.907 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 406' ' ' PHE . . . . . 0.572 ' HE1' HG13 ' B' ' 408' ' ' VAL . 1.0 OUTLIER -42.2 113.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.842 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 407' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -175.68 134.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.926 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 408' ' ' VAL . . . . . 0.488 HG13 ' HE2' ' B' ' 406' ' ' PHE . 2.6 m -54.07 143.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 43.23 111.111 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 39.2 t -82.62 154.08 25.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.85 -179.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 410' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -51.45 -34.49 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 74.23 110.945 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 411' ' ' VAL . . . . . . . . . . . . . 6.1 p -59.0 -39.73 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.116 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.696 HD11 ' HB ' ' B' ' 370' ' ' VAL . 87.8 mt -72.9 -44.16 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.148 179.887 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 413' ' ' MET . . . . . . . . . . . . . 9.0 mtt -62.98 -33.34 75.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.925 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.19 -53.32 11.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.896 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -56.79 -40.12 75.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.891 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 73.0 p -55.06 -51.86 65.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 71.33 110.829 -179.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . 0.563 HG22 ' OD1' ' A' ' 421' ' ' ASN . 58.7 m -52.92 -50.04 64.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 73.02 111.148 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -44.02 47.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 71.21 110.841 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.595 HD22 HD12 ' B' ' 380' ' ' LEU . 80.0 mt -74.41 -38.16 63.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 71.2 110.957 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.28 -60.12 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.942 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.563 ' OD1' HG22 ' A' ' 417' ' ' THR . 10.5 m120 -56.68 -35.73 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.14 110.911 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -53.07 -53.72 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.931 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 423' ' ' PHE . . . . . 0.565 ' HZ ' HD11 ' B' ' 380' ' ' LEU . 20.1 m-85 -71.56 -35.87 70.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -58.06 -53.97 52.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 63.42 110.883 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.36 -32.27 48.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 44.24 110.868 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 426' ' ' MET . . . . . 0.475 ' O ' HG23 ' A' ' 429' ' ' VAL . 9.8 mtm -80.63 -27.45 37.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.871 179.908 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.4 ' HA ' ' HE2' ' B' ' 387' ' ' MET . 1.6 m-85 -77.44 -35.19 54.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.912 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.559 ' O ' HD13 ' A' ' 440' ' ' LEU . 2.8 pp -92.66 -46.09 7.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 74.31 110.937 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.481 ' N ' HD12 ' A' ' 428' ' ' LEU . 92.4 t 51.43 79.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 70.12 111.147 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . 51.49 -104.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 25.3 112.476 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -151.25 -169.58 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 75.24 110.915 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 432' ' ' GLY . . . . . . . . . . . . . . . -126.62 164.08 20.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.759 . . . . 64.41 112.459 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 433' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -72.51 82.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 72.32 110.815 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.63 129.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.893 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.54 74.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 45.03 111.138 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 436' ' ' ILE . . . . . . . . . . . . . 8.5 mt -143.54 42.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 70.31 111.063 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.446 ' O ' HG23 ' A' ' 439' ' ' VAL . 0.2 OUTLIER 65.07 38.75 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.3 111.109 179.91 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.6 145.48 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 73.44 110.872 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 437' ' ' THR . 21.6 t -144.04 112.64 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 34.11 111.116 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 428' ' ' LEU . 3.9 mt -100.5 178.13 4.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 61.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 441' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 52.87 37.71 24.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 64.43 110.931 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.56 13.26 16.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 73.11 110.916 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 1.9 m -79.17 -55.11 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 75.3 110.851 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 444' ' ' LEU . . . . . 0.478 HD13 HH21 ' A' ' 448' ' ' ARG . 1.5 mt -74.08 -34.66 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 75.3 110.946 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.19 -35.3 35.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.32 111.103 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.29 -48.73 73.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 72.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -76.77 -35.84 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 64.54 110.932 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.478 HH21 HD13 ' A' ' 444' ' ' LEU . 21.8 mtt180 -51.96 -35.89 47.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 53.15 110.875 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -35.87 43.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.961 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 450' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -60.09 -45.19 93.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.51 110.821 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 451' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -77.47 -53.97 6.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 75.33 110.866 -179.861 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 452' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -51.83 -35.92 46.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.21 110.86 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.69 -35.52 43.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.2 111.084 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -70.68 -41.41 72.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.14 110.894 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.09 174.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.871 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.32 178.64 9.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 60.34 111.135 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.17 -178.19 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 72.51 110.933 179.869 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -153.56 160.94 42.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 75.11 110.872 179.837 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -176.9 138.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 44.03 110.948 -179.893 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . 169.84 -146.97 10.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 70.4 112.469 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.43 -171.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 74.2 110.861 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -90.82 152.03 20.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.864 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . . . . . . . . . . . 179.85 67.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.754 . . . . 54.43 112.459 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 165.8 29.78 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.619 2.213 . . . . 72.11 112.346 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -114.65 -174.5 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 63.41 110.89 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.08 142.93 49.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.882 179.91 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 65.2 110.854 179.833 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 340' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.921 0.391 . . . . 74.43 110.822 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' B' ' 342' ' ' ALA . 0.9 OUTLIER -138.85 -75.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 74.02 110.904 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' B' ' 341' ' ' ASN . . . 67.32 118.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 50.42 111.117 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 343' ' ' ALA . . . . . 0.557 ' HB2' ' NH1' ' B' ' 351' ' ' ARG . . . -90.3 117.44 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 75.44 111.106 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 344' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.18 48.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 61.04 110.878 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.97 -169.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.107 -0.497 . . . . 74.35 110.88 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 346' ' ' THR . . . . . . . . . . . . . 20.2 p -51.3 -35.04 35.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 65.14 111.1 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 347' ' ' SER . . . . . . . . . . . . . 12.2 m -51.76 -35.64 44.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 65.44 110.898 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 348' ' ' MET . . . . . 0.518 ' SD ' ' HB1' ' B' ' 343' ' ' ALA . 0.0 OUTLIER -53.14 -36.79 61.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 74.02 110.871 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 349' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.63 -37.16 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.833 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 350' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -38.31 83.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 65.45 110.86 -179.782 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . 0.557 ' NH1' ' HB2' ' B' ' 343' ' ' ALA . 16.4 ptp180 -74.33 -34.18 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 64.45 110.856 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.616 ' HA ' HD12 ' B' ' 355' ' ' ILE . 1.7 mp -71.08 -47.79 56.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 63.21 110.9 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 353' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -57.36 -30.08 64.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.928 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 354' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.18 -39.35 55.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.895 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 355' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' B' ' 352' ' ' LEU . 16.2 mt -63.61 -38.44 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 75.43 111.155 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 356' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -70.38 -46.38 64.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.889 179.836 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 357' ' ' ALA . . . . . . . . . . . . . . . -67.15 -37.87 84.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.04 111.104 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.98 -43.08 77.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.855 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 359' ' ' ILE . . . . . . . . . . . . . 40.4 mt -69.8 -33.96 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 62.43 111.16 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -52.42 -51.96 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 74.3 110.893 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 361' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -75.16 -27.05 59.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.918 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 1.5 p -77.49 -4.07 43.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.894 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 363' ' ' LEU . . . . . . . . . . . . . 57.5 mt -121.56 25.82 9.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 45.15 110.906 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 170.39 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.88 179.865 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 365' ' ' ILE . . . . . 1.049 HD11 HG22 ' A' ' 403' ' ' ILE . 6.0 tp -84.73 -40.52 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 74.33 111.133 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . 0.422 ' N ' HG23 ' B' ' 365' ' ' ILE . 31.6 t70 -91.89 -32.55 15.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 64.14 110.871 179.842 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 367' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -110.63 36.26 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 65.1 110.918 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . 0.56 HD13 ' CE2' ' A' ' 406' ' ' PHE . 16.3 tp -53.33 107.67 0.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.934 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -122.92 69.18 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.856 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 370' ' ' VAL . . . . . 0.696 ' HB ' HD11 ' A' ' 412' ' ' ILE . 7.2 m -53.68 -30.06 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 64.02 111.146 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 371' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -52.14 -40.29 61.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 73.44 110.879 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -75.7 -34.5 60.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 64.21 110.87 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 373' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.32 -46.46 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 61.02 110.924 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 374' ' ' ILE . . . . . . . . . . . . . 3.4 mt -66.06 -36.61 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 64.33 111.162 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.21 -38.08 89.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 75.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 376' ' ' ALA . . . . . 0.517 ' HB1' HG23 ' B' ' 355' ' ' ILE . . . -75.56 -52.59 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.15 111.124 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 377' ' ' LEU . . . . . . . . . . . . . 16.4 mt -52.24 -42.04 63.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.896 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 378' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -62.96 -35.53 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 54.03 110.862 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 379' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.33 -50.04 71.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 62.51 110.88 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.595 HD12 HD22 ' A' ' 419' ' ' LEU . 2.3 tm? -52.91 -45.49 67.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 72.31 110.932 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -56.97 -33.79 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 71.22 111.084 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 382' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.73 -28.75 61.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 63.33 110.844 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 61.7 mt -92.15 96.87 10.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.918 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 384' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.71 69.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 65.43 110.902 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . 0.42 HG22 ' O ' ' B' ' 386' ' ' THR . 2.7 p -66.82 141.14 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 70.11 111.125 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 386' ' ' THR . . . . . 0.42 ' O ' HG22 ' B' ' 385' ' ' VAL . 14.2 t -77.05 174.88 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 45.24 111.12 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 387' ' ' MET . . . . . 0.4 ' HE2' ' HA ' ' A' ' 427' ' ' PHE . 10.5 tpt -68.33 -40.23 81.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.866 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 388' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -51.92 -48.9 64.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.857 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 389' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -36.26 63.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.12 110.937 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 390' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.88 97.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 62.03 111.108 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -36.19 46.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 71.43 110.918 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 392' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -71.48 -34.78 70.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 54.25 110.89 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 393' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -95.27 35.62 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.855 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.429 ' HA ' HD12 ' B' ' 397' ' ' ILE . 0.2 OUTLIER -53.05 -35.27 59.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 54.13 111.145 -179.932 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.44 -42.14 91.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 74.34 110.822 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 396' ' ' MET . . . . . . . . . . . . . 27.7 ttp -55.26 -49.21 72.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.924 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 397' ' ' ILE . . . . . 0.795 ' HA ' HD12 ' B' ' 400' ' ' LEU . 2.7 mp -58.53 -45.91 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 71.44 111.171 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 398' ' ' THR . . . . . 0.472 HG22 ' HE2' ' B' ' 402' ' ' LYS . 0.5 OUTLIER -54.09 -36.13 62.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 55.43 111.173 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 399' ' ' THR . . . . . . . . . . . . . 86.1 m -70.54 -37.04 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.54 111.165 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' B' ' 397' ' ' ILE . 19.0 mt -61.04 -35.23 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 75.11 110.943 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -76.89 -29.11 55.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 60.31 110.907 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 402' ' ' LYS . . . . . 0.472 ' HE2' HG22 ' B' ' 398' ' ' THR . 16.5 mttm -75.45 -35.08 60.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 72.14 110.905 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 403' ' ' ILE . . . . . 1.035 HG22 HD11 ' A' ' 365' ' ' ILE . 39.3 pt -73.3 -1.74 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 52.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -33.81 42.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 71.35 110.88 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.13 -20.01 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 65.42 110.901 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 406' ' ' PHE . . . . . 0.49 ' HB3' ' HA ' ' B' ' 403' ' ' ILE . 1.1 t80 -41.98 112.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 70.24 110.903 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 407' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -175.05 134.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 62.2 110.918 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 408' ' ' VAL . . . . . 0.572 HG13 ' HE1' ' A' ' 406' ' ' PHE . 2.8 m -55.01 141.47 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 71.22 111.132 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 409' ' ' SER . . . . . . . . . . . . . 30.5 t -81.05 155.59 26.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.853 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 410' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -52.55 -34.14 48.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 73.33 110.933 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 411' ' ' VAL . . . . . . . . . . . . . 6.2 p -58.52 -39.98 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 73.1 111.138 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 412' ' ' ILE . . . . . 0.692 HD11 ' HB ' ' A' ' 370' ' ' VAL . 85.7 mt -73.09 -46.55 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 71.34 111.143 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 9.0 mtt -62.1 -31.37 71.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.897 179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 414' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.79 -51.51 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.912 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 415' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -59.87 -38.34 81.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.32 110.909 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 84.2 p -55.51 -51.93 65.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 61.13 110.864 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 98.6 m -53.67 -43.01 68.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.503 . . . . 52.43 111.141 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 418' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -50.44 63.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 74.22 110.871 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 419' ' ' LEU . . . . . 0.663 HD22 HD12 ' A' ' 380' ' ' LEU . 81.5 mt -71.9 -39.6 69.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 43.52 110.9 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -51.78 -62.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.958 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -57.32 -33.8 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 72.53 110.851 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 422' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -52.85 -52.01 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 71.45 110.89 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 423' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -72.62 -36.75 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 54.34 110.873 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 424' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -57.41 -54.25 48.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 71.03 110.869 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 425' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.06 -32.67 48.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 62.42 110.862 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 426' ' ' MET . . . . . 0.477 ' O ' HG23 ' B' ' 429' ' ' VAL . 9.4 mtm -80.96 -27.69 35.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.921 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 427' ' ' PHE . . . . . 0.492 ' HA ' ' HE2' ' A' ' 387' ' ' MET . 1.6 m-85 -77.17 -35.05 56.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.892 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 428' ' ' LEU . . . . . 0.485 HD12 ' N ' ' B' ' 429' ' ' VAL . 2.9 pp -93.24 -45.97 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 72.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 429' ' ' VAL . . . . . 0.485 ' N ' HD12 ' B' ' 428' ' ' LEU . 91.8 t 51.46 80.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 74.44 111.109 179.84 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . . . . . . . . . . . 51.12 -104.1 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 42.01 112.508 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -151.63 -171.0 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 62.22 110.919 -179.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 432' ' ' GLY . . . . . . . . . . . . . . . -137.97 157.54 24.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 64.44 112.456 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 433' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -71.8 104.21 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 74.12 110.91 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 434' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.09 -169.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 63.33 110.846 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 435' ' ' VAL . . . . . . . . . . . . . 7.0 m -50.95 164.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 65.41 111.116 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 436' ' ' ILE . . . . . . . . . . . . . 14.2 mt -85.46 53.14 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 70.25 111.097 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -166.4 31.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 73.13 111.099 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 438' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.99 148.23 47.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 54.42 110.896 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.05 111.94 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.11 111.128 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 440' ' ' LEU . . . . . 0.45 HD13 ' O ' ' B' ' 428' ' ' LEU . 3.7 mt -104.55 176.43 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.921 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 441' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 51.9 36.09 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 71.33 110.886 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.84 13.2 19.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.883 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 443' ' ' SER . . . . . . . . . . . . . 1.9 m -79.14 -54.92 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 55.1 110.872 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 444' ' ' LEU . . . . . 0.468 HD13 HH21 ' B' ' 448' ' ' ARG . 1.5 mt -74.0 -35.22 64.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 73.22 110.916 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 445' ' ' ALA . . . . . . . . . . . . . . . -51.0 -35.47 34.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 72.51 111.063 179.807 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 446' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -48.91 73.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 74.42 110.875 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 447' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -76.82 -35.92 57.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 75.01 110.945 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 448' ' ' ARG . . . . . 0.468 HH21 HD13 ' B' ' 444' ' ' LEU . 30.1 mtt-85 -51.87 -35.76 46.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.895 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -35.77 45.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.908 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 450' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -60.15 -44.92 94.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 65.3 110.826 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 451' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.6 -53.87 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.91 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 452' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -51.95 -35.93 47.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 65.55 110.9 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 453' ' ' ALA . . . . . . . . . . . . . . . -51.69 -35.56 43.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 64.13 111.095 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 454' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -70.57 -41.27 72.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.875 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 455' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.08 174.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 72.25 110.906 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.71 178.66 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 63.12 111.168 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.28 -178.03 3.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.885 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 458' ' ' ASP . . . . . . . . . . . . . 46.2 p30 -153.73 161.05 42.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 72.44 110.891 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 459' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -177.1 138.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 60.35 110.91 -179.871 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . 169.58 -147.07 10.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 71.53 112.474 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.21 -171.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.33 . . . . 72.41 110.918 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -90.91 152.05 20.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 72.34 110.904 179.87 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 463' ' ' GLY . . . . . . . . . . . . . . . 179.83 67.19 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 65.23 112.479 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 464' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 165.62 30.28 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.747 2.298 . . . . 74.05 112.355 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 465' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -114.44 -174.52 2.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 71.54 110.91 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.04 142.96 49.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.906 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 467' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.279 -0.419 . . . . 61.23 110.918 179.897 . . . . . . . . 0 0 . 1 stop_ save_